N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine

C12H19N3O — CID 75413295

IUPACN-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-15(10-6-4-3-5-7-10)12-13-9-8-11(14-12)16-2/h8-10H,3-7H2,1-2H3
InChIKeyFTQXOLWRQIQLMW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds3

About N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine

N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 75413295) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID75413295
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-15(10-6-4-3-5-7-10)12-13-9-8-11(14-12)16-2/h8-10H,3-7H2,1-2H3
InChIKeyFTQXOLWRQIQLMW-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
4-Methoxy-2-pyrimidinamine
CID 67428
4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-Methoxy-2-methylpyrimidine
CID 535905
2-Chloro-4-methoxypyrimidine
CID 588935
2-Fluoro-4-methoxypyrimidine
CID 21791027
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830
4-Methoxy-2-(tributylstannyl)pyrimidine
CID 12190128
Pyrimidine, 2-amino-4-(2-di-sec-butylaminoethoxy)-
CID 24845029
2-Ethynyl-4-methoxypyrimidine
CID 10011938
2-Chloro-4-propoxypyrimidine
CID 13869566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine (CID 75413295) is N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine is COc1ccnc(N(C)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is FTQXOLWRQIQLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(10-6-4-3-5-7-10)12-13-9-8-11(14-12)16-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine?
N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 75413295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).