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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Related Compounds

N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 63547720
1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
CID 46999637
N-[(3-chlorophenyl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46984116
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46996147
N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46990297
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154888746
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 47000569
2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
CID 139612143
N-[1-(4-chlorophenyl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46983876
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925180
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441

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).