2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C11H14N6 — CID 166630180

IUPAC2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NC3CC3)n2)n[nH]1
InChIInChI=1S/C11H14N6/c1-7-6-10(17-16-7)14-9-4-5-12-11(15-9)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyYFWMKWSHLBOMTK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds4

About 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 166630180) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID166630180
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NC3CC3)n2)n[nH]1
InChIInChI=1S/C11H14N6/c1-7-6-10(17-16-7)14-9-4-5-12-11(15-9)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyYFWMKWSHLBOMTK-UHFFFAOYSA-N
XLogP1.83
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 166630180) is 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(NC3CC3)n2)n[nH]1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is YFWMKWSHLBOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7-6-10(17-16-7)14-9-4-5-12-11(15-9)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166630180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).