4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine

C13H22N4O — CID 112634897

IUPAC4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-12(18-2)17-13(16-10)15-7-5-11-4-3-6-14-9-11/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyXQQVLOSHTNJYCJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds5

About 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine (PubChem CID 112634897) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
PubChem CID112634897
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-12(18-2)17-13(16-10)15-7-5-11-4-3-6-14-9-11/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyXQQVLOSHTNJYCJ-UHFFFAOYSA-N
XLogP1.60
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489508
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine (CID 112634897) is 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine is COc1cc(C)nc(NCCC2CCCNC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is XQQVLOSHTNJYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-12(18-2)17-13(16-10)15-7-5-11-4-3-6-14-9-11/h8,11,14H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112634897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).