N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

C21H21F2N5 — CID 112936417

IUPACN-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccc(F)cc3F)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21F2N5/c1-27-9-11-28(12-10-27)21-25-19(15-5-3-2-4-6-15)14-20(26-21)24-18-8-7-16(22)13-17(18)23/h2-8,13-14H,9-12H2,1H3,(H,24,25,26)
InChIKeyVBJOMYDKSZEOFX-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.92
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936417) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936417
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccc(F)cc3F)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21F2N5/c1-27-9-11-28(12-10-27)21-25-19(15-5-3-2-4-6-15)14-20(26-21)24-18-8-7-16(22)13-17(18)23/h2-8,13-14H,9-12H2,1H3,(H,24,25,26)
InChIKeyVBJOMYDKSZEOFX-UHFFFAOYSA-N
XLogP3.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934325
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932687
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112914123

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936417) is N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CN1CCN(c2nc(Nc3ccc(F)cc3F)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is VBJOMYDKSZEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c1-27-9-11-28(12-10-27)21-25-19(15-5-3-2-4-6-15)14-20(26-21)24-18-8-7-16(22)13-17(18)23/h2-8,13-14H,9-12H2,1H3,(H,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 381.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).