1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane

C15H24N4 — CID 154742612

IUPAC1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCc1nccc(N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C15H24N4/c1-13-16-8-7-15(17-13)19-10-4-9-18(11-12-19)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyOAKATHNHSLMFLM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds2

About 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane

1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane (PubChem CID 154742612) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
PubChem CID154742612
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCc1nccc(N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C15H24N4/c1-13-16-8-7-15(17-13)19-10-4-9-18(11-12-19)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyOAKATHNHSLMFLM-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
CID 66903248
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
CID 126892666
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane (CID 154742612) is 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane is Cc1nccc(N2CCCN(C3CCCC3)CC2)n1.
What is the InChIKey of 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane?
The InChIKey is OAKATHNHSLMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-16-8-7-15(17-13)19-10-4-9-18(11-12-19)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3.
What are the key properties of 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane?
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane has a molecular weight of 260.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 154742612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).