6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C14H11ClF2N6O — CID 156825417

IUPAC6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2nc(Cl)cc(Nc3cc(OC(F)F)ccn3)n2)cn1
InChIInChI=1S/C14H11ClF2N6O/c1-23-7-8(6-19-23)13-20-10(15)5-12(22-13)21-11-4-9(2-3-18-11)24-14(16)17/h2-7,14H,1H3,(H,18,20,21,22)
InChIKeyYVVUNVUMHWLVEY-UHFFFAOYSA-N
MW352.73 g/mol
LogP3.27
Rot. Bonds5

About 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 156825417) has the molecular formula C14H11ClF2N6O and a molecular weight of 352.73 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID156825417
Molecular FormulaC14H11ClF2N6O
Molecular Weight352.73 g/mol
Exact Mass352.07
IUPAC Name6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2nc(Cl)cc(Nc3cc(OC(F)F)ccn3)n2)cn1
InChIInChI=1S/C14H11ClF2N6O/c1-23-7-8(6-19-23)13-20-10(15)5-12(22-13)21-11-4-9(2-3-18-11)24-14(16)17/h2-7,14H,1H3,(H,18,20,21,22)
InChIKeyYVVUNVUMHWLVEY-UHFFFAOYSA-N
XLogP3.27
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 156825417) is 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2nc(Cl)cc(Nc3cc(OC(F)F)ccn3)n2)cn1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is YVVUNVUMHWLVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N6O/c1-23-7-8(6-19-23)13-20-10(15)5-12(22-13)21-11-4-9(2-3-18-11)24-14(16)17/h2-7,14H,1H3,(H,18,20,21,22).
What are the key properties of 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 352.73 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethoxy)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 156825417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).