1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane

C10H15ClN4 — CID 121204773

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCc1nc(Cl)cc(N2CCCNCC2)n1
InChIInChI=1S/C10H15ClN4/c1-8-13-9(11)7-10(14-8)15-5-2-3-12-4-6-15/h7,12H,2-6H2,1H3
InChIKeyFUEGILIRXJSYAC-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds1

About 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane

1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane (PubChem CID 121204773) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
PubChem CID121204773
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCc1nc(Cl)cc(N2CCCNCC2)n1
InChIInChI=1S/C10H15ClN4/c1-8-13-9(11)7-10(14-8)15-5-2-3-12-4-6-15/h7,12H,2-6H2,1H3
InChIKeyFUEGILIRXJSYAC-UHFFFAOYSA-N
XLogP1.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
1-(5-methylpyridazin-3-yl)-1,4-diazepane
CID 106549205
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
CID 95929569
1-(6-chloro-2-methylpyrimidin-4-yl)-4-phenylazepane
CID 133286642
4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 66063784
(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine
CID 139017621

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane (CID 121204773) is 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane is Cc1nc(Cl)cc(N2CCCNCC2)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane?
The InChIKey is FUEGILIRXJSYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-8-13-9(11)7-10(14-8)15-5-2-3-12-4-6-15/h7,12H,2-6H2,1H3.
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane?
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane has a molecular weight of 226.71 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 121204773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).