(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine

C17H32N6 — CID 163694350

IUPAC(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
SMILESC/N=C1\N=C(N(C)C)[C@@H](N(C)C[C@H]2C[C@@H](N)[C@@H](C)C=C2C)CN1
InChIInChI=1S/C17H32N6/c1-11-7-12(2)14(18)8-13(11)10-23(6)15-9-20-17(19-3)21-16(15)22(4)5/h7,12-15H,8-10,18H2,1-6H3,(H,19,20)/t12-,13+,14+,15-/m0/s1
InChIKeyJVQJZJDCWQQZNE-YJNKXOJESA-N
MW320.49 g/mol
LogP0.77
Rot. Bonds3

About (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine

(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine (PubChem CID 163694350) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
PubChem CID163694350
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
SMILESC/N=C1\N=C(N(C)C)[C@@H](N(C)C[C@H]2C[C@@H](N)[C@@H](C)C=C2C)CN1
InChIInChI=1S/C17H32N6/c1-11-7-12(2)14(18)8-13(11)10-23(6)15-9-20-17(19-3)21-16(15)22(4)5/h7,12-15H,8-10,18H2,1-6H3,(H,19,20)/t12-,13+,14+,15-/m0/s1
InChIKeyJVQJZJDCWQQZNE-YJNKXOJESA-N
XLogP0.77
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
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1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
CID 67645272
N'-[(1,2-dimethylpiperidin-3-yl)-(3-methylcyclohex-2-en-1-yl)methyl]-N-(4-methylpentan-2-yl)ethanimidamide
CID 68029957
7-Ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline
CID 142160815
(Z)-1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
CID 145805188
(Z)-1-(4,5-dihydro-1H-imidazol-2-yl)-2-methylicos-11-en-1-amine
CID 145805195
3-amino-N-(3-aminopropyl)-N'-[[(4-octylcyclohex-2-en-1-yl)amino]methyl]propanimidamide
CID 173889752
(2S)-2-amino-N-[(2R,3S)-3-[(5S)-2-[(1S)-1-amino-2-methylpropyl]-6-but-1-enyl-1,4,5,6-tetrahydropyrimidin-5-yl]butan-2-yl]-3-methylbutanimidamide
CID 176525865
2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine
CID 176531692
(2S)-2-amino-N-[(2R,3R)-3-[(5S)-2-[(1S)-1-amino-2-methylpropyl]-6-[(Z)-but-1-enyl]-1,4,5,6-tetrahydropyrimidin-5-yl]butan-2-yl]-3-methylbutanimidamide
CID 176543596
1-[2-(Diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine
CID 103277941
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397

Frequently Asked Questions

What is the IUPAC name of (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine?
The IUPAC name of (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine (CID 163694350) is (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine?
The canonical SMILES for (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine is C/N=C1\N=C(N(C)C)[C@@H](N(C)C[C@H]2C[C@@H](N)[C@@H](C)C=C2C)CN1.
What is the InChIKey of (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine?
The InChIKey is JVQJZJDCWQQZNE-YJNKXOJESA-N. The full InChI is InChI=1S/C17H32N6/c1-11-7-12(2)14(18)8-13(11)10-23(6)15-9-20-17(19-3)21-16(15)22(4)5/h7,12-15H,8-10,18H2,1-6H3,(H,19,20)/t12-,13+,14+,15-/m0/s1.
What are the key properties of (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine?
(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine has a molecular weight of 320.49 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 163694350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).