2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine

C12H14ClFN6O — CID 50993882

IUPAC2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc(N3CCOCC3)c2F)n[nH]1
InChIInChI=1S/C12H14ClFN6O/c1-7-6-8(19-18-7)15-10-9(14)11(17-12(13)16-10)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H2,15,16,17,18,19)
InChIKeyDGKUUEIXZKEJIG-UHFFFAOYSA-N
MW312.74 g/mol
LogP1.88
Rot. Bonds3

About 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50993882) has the molecular formula C12H14ClFN6O and a molecular weight of 312.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID50993882
Molecular FormulaC12H14ClFN6O
Molecular Weight312.74 g/mol
Exact Mass312.09
IUPAC Name2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)nc(N3CCOCC3)c2F)n[nH]1
InChIInChI=1S/C12H14ClFN6O/c1-7-6-8(19-18-7)15-10-9(14)11(17-12(13)16-10)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H2,15,16,17,18,19)
InChIKeyDGKUUEIXZKEJIG-UHFFFAOYSA-N
XLogP1.88
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine (CID 50993882) is 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2nc(Cl)nc(N3CCOCC3)c2F)n[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DGKUUEIXZKEJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN6O/c1-7-6-8(19-18-7)15-10-9(14)11(17-12(13)16-10)20-2-4-21-5-3-20/h6H,2-5H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 312.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50993882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).