5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine

C17H30N4 — CID 80823681

IUPAC5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(CCC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-7-15-8-6-11-21(12-9-15)16-14(3)13-19-17(20-16)18-10-5-2/h13,15H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyGHVAQCJBYQZXSV-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.01
Rot. Bonds6

About 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine

5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine (PubChem CID 80823681) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
PubChem CID80823681
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(CCC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-7-15-8-6-11-21(12-9-15)16-14(3)13-19-17(20-16)18-10-5-2/h13,15H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyGHVAQCJBYQZXSV-UHFFFAOYSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
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-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine (CID 80823681) is 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine is CCCNc1ncc(C)c(N2CCCC(CCC)CC2)n1.
What is the InChIKey of 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine?
The InChIKey is GHVAQCJBYQZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-7-15-8-6-11-21(12-9-15)16-14(3)13-19-17(20-16)18-10-5-2/h13,15H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine?
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine has a molecular weight of 290.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).