N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide

C12H16N6O — CID 71706273

IUPACN-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNc2ncccn2)nn1C
InChIInChI=1S/C12H16N6O/c1-9-8-10(17-18(9)2)16-11(19)4-7-15-12-13-5-3-6-14-12/h3,5-6,8H,4,7H2,1-2H3,(H,13,14,15)(H,16,17,19)
InChIKeyRMBNHJFHNNHSBU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.96
Rot. Bonds5

About N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide

N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71706273) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71706273
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNc2ncccn2)nn1C
InChIInChI=1S/C12H16N6O/c1-9-8-10(17-18(9)2)16-11(19)4-7-15-12-13-5-3-6-14-12/h3,5-6,8H,4,7H2,1-2H3,(H,13,14,15)(H,16,17,19)
InChIKeyRMBNHJFHNNHSBU-UHFFFAOYSA-N
XLogP0.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide (CID 71706273) is N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide is Cc1cc(NC(=O)CCNc2ncccn2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is RMBNHJFHNNHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-8-10(17-18(9)2)16-11(19)4-7-15-12-13-5-3-6-14-12/h3,5-6,8H,4,7H2,1-2H3,(H,13,14,15)(H,16,17,19).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71706273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).