N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine

C16H27N5 — CID 80836268

IUPACN-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H27N5/c1-4-5-14-15(17-2)18-11-19-16(14)21-9-8-12-6-7-13(10-21)20(12)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNRKHKRQRDXTYOW-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine

N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine (PubChem CID 80836268) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
PubChem CID80836268
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H27N5/c1-4-5-14-15(17-2)18-11-19-16(14)21-9-8-12-6-7-13(10-21)20(12)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNRKHKRQRDXTYOW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine with MolForge

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Related Compounds

1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858809
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80810895
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
1-[1-(6-hydrazinyl-5-propylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839925
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine (CID 80836268) is N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1N1CCC2CCC(C1)N2C.
What is the InChIKey of N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine?
The InChIKey is NRKHKRQRDXTYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-5-14-15(17-2)18-11-19-16(14)21-9-8-12-6-7-13(10-21)20(12)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine?
N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80836268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).