4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C15H17F2N5 — CID 91635911

IUPAC4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(-c3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C15H17F2N5/c1-21-4-6-22(7-5-21)15-13(18)14(19-9-20-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7,18H2,1H3
InChIKeySXRSPLUJRPFGEB-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.76
Rot. Bonds2

About 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 91635911) has the molecular formula C15H17F2N5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID91635911
Molecular FormulaC15H17F2N5
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(-c3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C15H17F2N5/c1-21-4-6-22(7-5-21)15-13(18)14(19-9-20-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7,18H2,1H3
InChIKeySXRSPLUJRPFGEB-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138304
4-N-(3-chloro-4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138286
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140387
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 91635911) is 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncnc(-c3ccc(F)cc3F)c2N)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is SXRSPLUJRPFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5/c1-21-4-6-22(7-5-21)15-13(18)14(19-9-20-15)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7,18H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 305.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 91635911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).