N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine

C16H21N5O — CID 155975727

IUPACN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
SMILESCOc1ccnc(N2CCC(N(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)16-18-10-6-15(19-16)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyDRHKQSZHHQLJNQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine

N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine (PubChem CID 155975727) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
PubChem CID155975727
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
SMILESCOc1ccnc(N2CCC(N(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)16-18-10-6-15(19-16)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyDRHKQSZHHQLJNQ-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
N-cyclopropyl-N-methylpyridin-2-amine;hydrochloride
CID 69197423
N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyridin-2-amine
CID 155976483
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine?
The IUPAC name of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine (CID 155975727) is N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine is COc1ccnc(N2CCC(N(C)c3ccccn3)CC2)n1.
What is the InChIKey of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine?
The InChIKey is DRHKQSZHHQLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)16-18-10-6-15(19-16)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3.
What are the key properties of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine?
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 155975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).