N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine

C19H33N5 — CID 90747007

IUPACN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc(N2CCCCCC2)n1)C1CCCCC1
InChIInChI=1S/C19H33N5/c1-23(17-9-5-4-6-10-17)16-13-21-19-20-12-11-18(22-19)24-14-7-2-3-8-15-24/h11-12,17H,2-10,13-16H2,1H3,(H,20,21,22)
InChIKeyRXUUSKKKTNZJHI-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine

N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine (PubChem CID 90747007) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
PubChem CID90747007
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc(N2CCCCCC2)n1)C1CCCCC1
InChIInChI=1S/C19H33N5/c1-23(17-9-5-4-6-10-17)16-13-21-19-20-12-11-18(22-19)24-14-7-2-3-8-15-24/h11-12,17H,2-10,13-16H2,1H3,(H,20,21,22)
InChIKeyRXUUSKKKTNZJHI-UHFFFAOYSA-N
XLogP3.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
N-cyclohexylpyrimidin-2-amine
CID 21252719
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine (CID 90747007) is N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine is CN(CCNc1nccc(N2CCCCCC2)n1)C1CCCCC1.
What is the InChIKey of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine?
The InChIKey is RXUUSKKKTNZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-23(17-9-5-4-6-10-17)16-13-21-19-20-12-11-18(22-19)24-14-7-2-3-8-15-24/h11-12,17H,2-10,13-16H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine?
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine has a molecular weight of 331.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 90747007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).