4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C16H28N6 — CID 134079917

IUPAC4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCC1NNC(C)C1CCN(C)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C16H28N6/c1-10-12(11(2)21-20-10)8-9-22(3)15-13-6-4-5-7-14(13)18-16(17)19-15/h10-12,20-21H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyLSNBVRTXRZBHMJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.26
Rot. Bonds4

About 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 134079917) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID134079917
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCC1NNC(C)C1CCN(C)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C16H28N6/c1-10-12(11(2)21-20-10)8-9-22(3)15-13-6-4-5-7-14(13)18-16(17)19-15/h10-12,20-21H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyLSNBVRTXRZBHMJ-UHFFFAOYSA-N
XLogP1.26
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145070
4-N,4-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 83863125
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
4-N-[(5-ethyl-2-pyridinyl)methyl]-4-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154886714
4-N-methyl-4-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 95896880
4-N-tert-butyl-4-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145035
3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile
CID 133370498
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419
2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
CID 25039003
4-N-(2-aminoethyl)-4-N,6,6-trimethyl-8,9-dihydro-7H-[1]benzothiolo[3,2-d]pyrimidine-2,4-diamine;hydrochloride
CID 140533897

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 134079917) is 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CC1NNC(C)C1CCN(C)c1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is LSNBVRTXRZBHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-10-12(11(2)21-20-10)8-9-22(3)15-13-6-4-5-7-14(13)18-16(17)19-15/h10-12,20-21H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 134079917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).