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

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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).