N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine

C16H28N4O — CID 63870539

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCCOC2CCC(N)CC2)ncn1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(20-11-19-15)18-8-3-9-21-14-6-4-13(17)5-7-14/h10-14H,3-9,17H2,1-2H3,(H,18,19,20)
InChIKeyDIAYXWMMFLCCNG-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 63870539) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID63870539
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCCOC2CCC(N)CC2)ncn1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(20-11-19-15)18-8-3-9-21-14-6-4-13(17)5-7-14/h10-14H,3-9,17H2,1-2H3,(H,18,19,20)
InChIKeyDIAYXWMMFLCCNG-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
CID 72941041
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
CID 63870709
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 78954830
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
CID 63871029
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine (CID 63870539) is N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCCOC2CCC(N)CC2)ncn1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DIAYXWMMFLCCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-10-16(20-11-19-15)18-8-3-9-21-14-6-4-13(17)5-7-14/h10-14H,3-9,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).