3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide

C18H26N6O — CID 110258139

IUPAC3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)24-8-4-5-17(24)16-9-14(21-13(3)22-16)6-7-18(25)23-15-10-19-20-11-15/h9-12,17H,4-8H2,1-3H3,(H,19,20)(H,23,25)
InChIKeyAUOQRCHTBJMQIL-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.62
Rot. Bonds6

About 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide

3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 110258139) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide
PubChem CID110258139
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)24-8-4-5-17(24)16-9-14(21-13(3)22-16)6-7-18(25)23-15-10-19-20-11-15/h9-12,17H,4-8H2,1-3H3,(H,19,20)(H,23,25)
InChIKeyAUOQRCHTBJMQIL-UHFFFAOYSA-N
XLogP2.62
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
CID 110258138
2-[3-[2-methyl-6-[(2S)-1-propan-2-ylpiperidin-2-yl]pyrimidin-4-yl]propanoylamino]acetic acid
CID 95827139
N-methyl-3-[6-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]propanamide
CID 110269724
3-(6-piperidin-4-yl-2-pyridinyl)-N-(1H-pyrazol-4-yl)propanamide
CID 95827035
2-[2-methyl-6-[(2S)-1-propan-2-ylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 125019657
3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95826823
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
ethyl 3-[6-(1-formylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoate
CID 175656212
3-[6-methyl-2-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256786
2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136804068
2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 75374668
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide (CID 110258139) is 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide is Cc1nc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1.
What is the InChIKey of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is AUOQRCHTBJMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)24-8-4-5-17(24)16-9-14(21-13(3)22-16)6-7-18(25)23-15-10-19-20-11-15/h9-12,17H,4-8H2,1-3H3,(H,19,20)(H,23,25).
What are the key properties of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide?
3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 342.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 110258139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).