N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

C17H21F2N5 — CID 112914275

IUPACN-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H21F2N5/c1-3-23-6-8-24(9-7-23)16-10-12(2)20-17(22-16)21-15-5-4-13(18)11-14(15)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,21,22)
InChIKeyOGRBYOMLNZCVMM-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.95
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112914275) has the molecular formula C17H21F2N5 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112914275
Molecular FormulaC17H21F2N5
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H21F2N5/c1-3-23-6-8-24(9-7-23)16-10-12(2)20-17(22-16)21-15-5-4-13(18)11-14(15)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,21,22)
InChIKeyOGRBYOMLNZCVMM-UHFFFAOYSA-N
XLogP2.95
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
N-(2-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914216
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112922111
N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914217
4-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112914293
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112922320
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
4-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914561
N-(2,4-difluorophenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957261
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924174
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (CID 112914275) is N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is CCN1CCN(c2cc(C)nc(Nc3ccc(F)cc3F)n2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is OGRBYOMLNZCVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5/c1-3-23-6-8-24(9-7-23)16-10-12(2)20-17(22-16)21-15-5-4-13(18)11-14(15)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,21,22).
What are the key properties of N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 2.95, 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)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112914275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).