N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine

C16H28N4 — CID 80985513

IUPACN,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(N2CCCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-5-9-14-18-15(17-4)13(3)16(19-14)20-11-8-6-7-10-12(20)2/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyVHFAOJDIJBDTIC-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.55
Rot. Bonds4

About N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine

N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80985513) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80985513
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(N2CCCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-5-9-14-18-15(17-4)13(3)16(19-14)20-11-8-6-7-10-12(20)2/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyVHFAOJDIJBDTIC-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
6-(2,3-dimethylpiperidin-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80982926
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
6-(2,5-dimethylpiperidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80991992
6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
CID 80992645
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
6-[4-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80984787
2-[1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 81000782
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 104961762
N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
6-N,5-dimethyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985581
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine (CID 80985513) is N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(N2CCCCCC2C)n1.
What is the InChIKey of N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is VHFAOJDIJBDTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-14-18-15(17-4)13(3)16(19-14)20-11-8-6-7-10-12(20)2/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine?
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).