N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine

C12H20N4O — CID 112634935

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
SMILESCOc1cc(C)nc(NC2CCCCNC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-11(17-2)16-12(14-9)15-10-5-3-4-6-13-8-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUIKBVJRUQRCUHY-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.35
Rot. Bonds3

About N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine

N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine (PubChem CID 112634935) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
PubChem CID112634935
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
SMILESCOc1cc(C)nc(NC2CCCCNC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-11(17-2)16-12(14-9)15-10-5-3-4-6-13-8-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUIKBVJRUQRCUHY-UHFFFAOYSA-N
XLogP1.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634754
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine (CID 112634935) is N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine is COc1cc(C)nc(NC2CCCCNC2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine?
The InChIKey is UIKBVJRUQRCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-11(17-2)16-12(14-9)15-10-5-3-4-6-13-8-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine?
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine is sourced from PubChem (CID 112634935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).