4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

C15H18F2N6 — CID 19138304

IUPAC4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3cc(F)ccc3F)c2N)CC1
InChIInChI=1S/C15H18F2N6/c1-22-4-6-23(7-5-22)15-13(18)14(19-9-20-15)21-12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7,18H2,1H3,(H,19,20,21)
InChIKeyMKKUMSYXYDLZTB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.83
Rot. Bonds3

About 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138304) has the molecular formula C15H18F2N6 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138304
Molecular FormulaC15H18F2N6
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3cc(F)ccc3F)c2N)CC1
InChIInChI=1S/C15H18F2N6/c1-22-4-6-23(7-5-22)15-13(18)14(19-9-20-15)21-12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7,18H2,1H3,(H,19,20,21)
InChIKeyMKKUMSYXYDLZTB-UHFFFAOYSA-N
XLogP1.83
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138304) is 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is CN1CCN(c2ncnc(Nc3cc(F)ccc3F)c2N)CC1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is MKKUMSYXYDLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6/c1-22-4-6-23(7-5-22)15-13(18)14(19-9-20-15)21-12-8-10(16)2-3-11(12)17/h2-3,8-9H,4-7,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 320.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).