N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C20H22N6O — CID 112898785

IUPACN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-27-17-7-3-2-6-16(17)23-20-22-11-9-19(24-20)26-14-12-25(13-15-26)18-8-4-5-10-21-18/h2-11H,12-15H2,1H3,(H,22,23,24)
InChIKeyUWRUMACBOHDAAL-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898785) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898785
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-27-17-7-3-2-6-16(17)23-20-22-11-9-19(24-20)26-14-12-25(13-15-26)18-8-4-5-10-21-18/h2-11H,12-15H2,1H3,(H,22,23,24)
InChIKeyUWRUMACBOHDAAL-UHFFFAOYSA-N
XLogP2.95
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112892285
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
furan-2-yl-[4-[2-(2-methoxyanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112898656
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898785) is N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is COc1ccccc1Nc1nccc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is UWRUMACBOHDAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-27-17-7-3-2-6-16(17)23-20-22-11-9-19(24-20)26-14-12-25(13-15-26)18-8-4-5-10-21-18/h2-11H,12-15H2,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 362.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).