N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C14H19N5 — CID 46993257

IUPACN-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESC=C(C)CNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H19N5/c1-9(2)8-16-14-15-7-6-12(17-14)13-10(3)18-19(5)11(13)4/h6-7H,1,8H2,2-5H3,(H,15,16,17)
InChIKeyIBVWUHCQRZKQEO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds4

About N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46993257) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46993257
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESC=C(C)CNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H19N5/c1-9(2)8-16-14-15-7-6-12(17-14)13-10(3)18-19(5)11(13)4/h6-7H,1,8H2,2-5H3,(H,15,16,17)
InChIKeyIBVWUHCQRZKQEO-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46993257) is N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is C=C(C)CNc1nccc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is IBVWUHCQRZKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(2)8-16-14-15-7-6-12(17-14)13-10(3)18-19(5)11(13)4/h6-7H,1,8H2,2-5H3,(H,15,16,17).
What are the key properties of N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46993257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).