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

C15H22N6 — CID 70683297

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyYJXMRNIXSATUOH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.28
Rot. Bonds7

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 70683297) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID70683297
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyYJXMRNIXSATUOH-UHFFFAOYSA-N
XLogP3.28
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 70683297) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is YJXMRNIXSATUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70683297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).