N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride

C16H21ClFN5 — CID 122624110

IUPACN-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(F)cc2)nc(N2CCNCC2C)n1.Cl
InChIInChI=1S/C16H20FN5.ClH/c1-11-9-15(20-14-5-3-13(17)4-6-14)21-16(19-11)22-8-7-18-10-12(22)2;/h3-6,9,12,18H,7-8,10H2,1-2H3,(H,19,20,21);1H
InChIKeyJXKCVQVTZVCBLG-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.89
Rot. Bonds3

About N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride

N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride (PubChem CID 122624110) has the molecular formula C16H21ClFN5 and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
PubChem CID122624110
Molecular FormulaC16H21ClFN5
Molecular Weight337.83 g/mol
Exact Mass337.15
IUPAC NameN-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(F)cc2)nc(N2CCNCC2C)n1.Cl
InChIInChI=1S/C16H20FN5.ClH/c1-11-9-15(20-14-5-3-13(17)4-6-14)21-16(19-11)22-8-7-18-10-12(22)2;/h3-6,9,12,18H,7-8,10H2,1-2H3,(H,19,20,21);1H
InChIKeyJXKCVQVTZVCBLG-UHFFFAOYSA-N
XLogP2.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 134410157
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112924622
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
N-(4-fluorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923922
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
N-(4-fluorophenyl)-4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carboxamide
CID 22585337
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
CID 172895095
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 66838893

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride (CID 122624110) is N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride is Cc1cc(Nc2ccc(F)cc2)nc(N2CCNCC2C)n1.Cl.
What is the InChIKey of N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride?
The InChIKey is JXKCVQVTZVCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5.ClH/c1-11-9-15(20-14-5-3-13(17)4-6-14)21-16(19-11)22-8-7-18-10-12(22)2;/h3-6,9,12,18H,7-8,10H2,1-2H3,(H,19,20,21);1H.
What are the key properties of N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride?
N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 122624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).