1-(2-methylpyrimidin-4-yl)azepane

C11H17N3 — CID 126972484

IUPAC1-(2-methylpyrimidin-4-yl)azepane
SMILESCc1nccc(N2CCCCCC2)n1
InChIInChI=1S/C11H17N3/c1-10-12-7-6-11(13-10)14-8-4-2-3-5-9-14/h6-7H,2-5,8-9H2,1H3
InChIKeyLTFZECHLRKLARU-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.17
Rot. Bonds1

About 1-(2-methylpyrimidin-4-yl)azepane

1-(2-methylpyrimidin-4-yl)azepane (PubChem CID 126972484) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)azepane.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)azepane
PubChem CID126972484
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-methylpyrimidin-4-yl)azepane
SMILESCc1nccc(N2CCCCCC2)n1
InChIInChI=1S/C11H17N3/c1-10-12-7-6-11(13-10)14-8-4-2-3-5-9-14/h6-7H,2-5,8-9H2,1H3
InChIKeyLTFZECHLRKLARU-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane
CID 172890892

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)azepane?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)azepane (CID 126972484) is 1-(2-methylpyrimidin-4-yl)azepane.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)azepane?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)azepane is Cc1nccc(N2CCCCCC2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)azepane?
The InChIKey is LTFZECHLRKLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-12-7-6-11(13-10)14-8-4-2-3-5-9-14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)azepane?
1-(2-methylpyrimidin-4-yl)azepane has a molecular weight of 191.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)azepane is sourced from PubChem (CID 126972484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).