N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H20ClN5O — CID 112888006

IUPACN-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20ClN5O/c1-21-7-9-22(10-8-21)15-5-6-18-16(20-15)19-13-11-12(17)3-4-14(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyVJDJHYPDQWNJFK-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.63
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112888006) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112888006
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20ClN5O/c1-21-7-9-22(10-8-21)15-5-6-18-16(20-15)19-13-11-12(17)3-4-14(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyVJDJHYPDQWNJFK-UHFFFAOYSA-N
XLogP2.63
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888061
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
4-[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914573
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
N-(2,5-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886524
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752
N-(5-chloro-2-methoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910788

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112888006) is N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1ccc(Cl)cc1Nc1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VJDJHYPDQWNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21-7-9-22(10-8-21)15-5-6-18-16(20-15)19-13-11-12(17)3-4-14(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 333.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112888006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).