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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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43420019
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34831861
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066
5-{2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 70712238
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide
CID 71805365
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propylpropanamide
CID 72024817
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72044267

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).