4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine

C15H24N4O — CID 112869889

IUPAC4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N4O/c1-13-16-14(18-6-4-2-3-5-7-18)12-15(17-13)19-8-10-20-11-9-19/h12H,2-11H2,1H3
InChIKeyKFNWWDYONBNLPP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.00
Rot. Bonds2

About 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine

4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine (PubChem CID 112869889) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
PubChem CID112869889
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N4O/c1-13-16-14(18-6-4-2-3-5-7-18)12-15(17-13)19-8-10-20-11-9-19/h12H,2-11H2,1H3
InChIKeyKFNWWDYONBNLPP-UHFFFAOYSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155800366
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
CID 121206116

Frequently Asked Questions

What is the IUPAC name of 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine (CID 112869889) is 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCCCCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is KFNWWDYONBNLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13-16-14(18-6-4-2-3-5-7-18)12-15(17-13)19-8-10-20-11-9-19/h12H,2-11H2,1H3.
What are the key properties of 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine?
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 276.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 112869889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).