5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine

C16H27N5 — CID 80836484

IUPAC5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C16H27N5/c1-4-8-17-16-18-10-12(2)15(19-16)21-9-7-13-5-6-14(11-21)20(13)3/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyCXPULJKMVQAOKN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.28
Rot. Bonds4

About 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine

5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine (PubChem CID 80836484) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
PubChem CID80836484
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C16H27N5/c1-4-8-17-16-18-10-12(2)15(19-16)21-9-7-13-5-6-14(11-21)20(13)3/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyCXPULJKMVQAOKN-UHFFFAOYSA-N
XLogP2.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine with MolForge

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Related Compounds

5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80804882
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine (CID 80836484) is 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCC3CCC(C2)N3C)n1.
What is the InChIKey of 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine?
The InChIKey is CXPULJKMVQAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-8-17-16-18-10-12(2)15(19-16)21-9-7-13-5-6-14(11-21)20(13)3/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine?
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80836484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).