6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

C18H33N5 — CID 19137813

IUPAC6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N2CCCCCC2)c1N
InChIInChI=1S/C18H33N5/c1-14(2)11-23(12-15(3)4)18-16(19)17(20-13-21-18)22-9-7-5-6-8-10-22/h13-15H,5-12,19H2,1-4H3
InChIKeyYZHFTYRNODZLGJ-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.56
Rot. Bonds6

About 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 19137813) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID19137813
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N2CCCCCC2)c1N
InChIInChI=1S/C18H33N5/c1-14(2)11-23(12-15(3)4)18-16(19)17(20-13-21-18)22-9-7-5-6-8-10-22/h13-15H,5-12,19H2,1-4H3
InChIKeyYZHFTYRNODZLGJ-UHFFFAOYSA-N
XLogP3.56
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19136884
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
4-(azocan-1-yl)-6-chloropyrimidin-5-amine
CID 62663067
4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22539280
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
4-N,4-N-diethyl-6-(4-methoxypiperidin-1-yl)pyrimidine-4,5-diamine
CID 91635580
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (CID 19137813) is 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)CN(CC(C)C)c1ncnc(N2CCCCCC2)c1N.
What is the InChIKey of 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is YZHFTYRNODZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-14(2)11-23(12-15(3)4)18-16(19)17(20-13-21-18)22-9-7-5-6-8-10-22/h13-15H,5-12,19H2,1-4H3.
What are the key properties of 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 319.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19137813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).