N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine

C11H17ClN4O — CID 107173705

IUPACN-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCNCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-17-11-14-7-9(12)10(16-11)15-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyDWDSGALQJWEIEW-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.69
Rot. Bonds3

About N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine

N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine (PubChem CID 107173705) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
PubChem CID107173705
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC NameN-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCNCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-17-11-14-7-9(12)10(16-11)15-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyDWDSGALQJWEIEW-UHFFFAOYSA-N
XLogP1.69
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 86618550
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
CID 103804863
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
5-chloro-N-(2-cyclopropyloxolan-3-yl)-2-methoxypyrimidin-4-amine
CID 103864060
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214598
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine?
The IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine (CID 107173705) is N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine is COc1ncc(Cl)c(NC2CCCNCC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine?
The InChIKey is DWDSGALQJWEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-17-11-14-7-9(12)10(16-11)15-8-3-2-5-13-6-4-8/h7-8,13H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine?
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine has a molecular weight of 256.74 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine is sourced from PubChem (CID 107173705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).