6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C11H14ClN5 — CID 71995935

IUPAC6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(Nc2cc(Cl)nc(C)n2)cn1
InChIInChI=1S/C11H14ClN5/c1-3-4-17-7-9(6-13-17)16-11-5-10(12)14-8(2)15-11/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyXUYCNMVGBXRFOX-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.79
Rot. Bonds4

About 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine

6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 71995935) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID71995935
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(Nc2cc(Cl)nc(C)n2)cn1
InChIInChI=1S/C11H14ClN5/c1-3-4-17-7-9(6-13-17)16-11-5-10(12)14-8(2)15-11/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyXUYCNMVGBXRFOX-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 71995935) is 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(Nc2cc(Cl)nc(C)n2)cn1.
What is the InChIKey of 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XUYCNMVGBXRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-4-17-7-9(6-13-17)16-11-5-10(12)14-8(2)15-11/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 71995935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).