2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide

C19H21N3O2 — CID 50953976

IUPAC2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CC#Cc2ccccc2)CC(C)C)c(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-14(2)13-22(11-7-10-16-8-5-4-6-9-16)19(24)17-12-20-15(3)21-18(17)23/h4-6,8-9,12,14H,11,13H2,1-3H3,(H,20,21,23)
InChIKeyTXHPTXGMUQMLDL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide

2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide (PubChem CID 50953976) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide
PubChem CID50953976
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CC#Cc2ccccc2)CC(C)C)c(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-14(2)13-22(11-7-10-16-8-5-4-6-9-16)19(24)17-12-20-15(3)21-18(17)23/h4-6,8-9,12,14H,11,13H2,1-3H3,(H,20,21,23)
InChIKeyTXHPTXGMUQMLDL-UHFFFAOYSA-N
XLogP2.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide
CID 50949877
N-ethyl-2-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110857948
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 46989307
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
CID 110848195
N-butan-2-yl-2,4-dioxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-6-carboxamide
CID 47000449
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
CID 46988385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide (CID 50953976) is 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(CC#Cc2ccccc2)CC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is TXHPTXGMUQMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(2)13-22(11-7-10-16-8-5-4-6-9-16)19(24)17-12-20-15(3)21-18(17)23/h4-6,8-9,12,14H,11,13H2,1-3H3,(H,20,21,23).
What are the key properties of 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide?
2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 50953976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).