4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine

C17H27N5 — CID 91002117

IUPAC4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC(C2)N3)cc(C2CCCCC2)n1
InChIInChI=1S/C17H27N5/c18-17-21-15(11-4-2-1-3-5-11)10-16(22-17)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,1-9H2,(H3,18,20,21,22)
InChIKeyPBQTWMUGQCPVLQ-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.80
Rot. Bonds3

About 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine

4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine (PubChem CID 91002117) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine
PubChem CID91002117
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC(C2)N3)cc(C2CCCCC2)n1
InChIInChI=1S/C17H27N5/c18-17-21-15(11-4-2-1-3-5-11)10-16(22-17)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,1-9H2,(H3,18,20,21,22)
InChIKeyPBQTWMUGQCPVLQ-UHFFFAOYSA-N
XLogP2.80
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68548838
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68547275
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
6-(3-aminocyclobutyl)-4-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrimidine-2,4-diamine;dihydrochloride
CID 154903305
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62771817
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine
CID 83851798

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine (CID 91002117) is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine is Nc1nc(NC2CC3CCC(C2)N3)cc(C2CCCCC2)n1.
What is the InChIKey of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine?
The InChIKey is PBQTWMUGQCPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c18-17-21-15(11-4-2-1-3-5-11)10-16(22-17)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,1-9H2,(H3,18,20,21,22).
What are the key properties of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine?
4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine is sourced from PubChem (CID 91002117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).