4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine

C11H17F2N5 — CID 114207272

IUPAC4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine
SMILESCN1CCN(C)C(c2ncc(N)c(C(F)F)n2)C1
InChIInChI=1S/C11H17F2N5/c1-17-3-4-18(2)8(6-17)11-15-5-7(14)9(16-11)10(12)13/h5,8,10H,3-4,6,14H2,1-2H3
InChIKeyZCPPFNZWPWLKRW-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.91
Rot. Bonds2

About 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine

4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine (PubChem CID 114207272) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine
PubChem CID114207272
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine
SMILESCN1CCN(C)C(c2ncc(N)c(C(F)F)n2)C1
InChIInChI=1S/C11H17F2N5/c1-17-3-4-18(2)8(6-17)11-15-5-7(14)9(16-11)10(12)13/h5,8,10H,3-4,6,14H2,1-2H3
InChIKeyZCPPFNZWPWLKRW-UHFFFAOYSA-N
XLogP0.91
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine?
The IUPAC name of 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine (CID 114207272) is 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine is CN1CCN(C)C(c2ncc(N)c(C(F)F)n2)C1.
What is the InChIKey of 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine?
The InChIKey is ZCPPFNZWPWLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c1-17-3-4-18(2)8(6-17)11-15-5-7(14)9(16-11)10(12)13/h5,8,10H,3-4,6,14H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine?
4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine has a molecular weight of 257.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 114207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).