4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C14H16F2N6 — CID 44568832

IUPAC4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1
InChIInChI=1S/C14H16F2N6/c1-21-4-6-22(7-5-21)12-8-10(18-14(17)20-12)9-2-3-11(15)19-13(9)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20)
InChIKeyJRUZDFQRGNNPSN-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.15
Rot. Bonds2

About 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 44568832) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID44568832
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1
InChIInChI=1S/C14H16F2N6/c1-21-4-6-22(7-5-21)12-8-10(18-14(17)20-12)9-2-3-11(15)19-13(9)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20)
InChIKeyJRUZDFQRGNNPSN-UHFFFAOYSA-N
XLogP1.15
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 44568832) is 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3ccc(F)nc3F)nc(N)n2)CC1.
What is the InChIKey of 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is JRUZDFQRGNNPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6/c1-21-4-6-22(7-5-21)12-8-10(18-14(17)20-12)9-2-3-11(15)19-13(9)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20).
What are the key properties of 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 306.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 44568832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).