6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide

C16H18N4O2 — CID 123494824

IUPAC6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCOC1CCN(c2cc(C(N)=O)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-22-12-7-8-20(10-12)14-9-13(15(17)21)18-16(19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21)
InChIKeySZHDVGNXIGQEFS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.47
Rot. Bonds4

About 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide

6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 123494824) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID123494824
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCOC1CCN(c2cc(C(N)=O)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-22-12-7-8-20(10-12)14-9-13(15(17)21)18-16(19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21)
InChIKeySZHDVGNXIGQEFS-UHFFFAOYSA-N
XLogP1.47
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidin-4-yl]hydrazine
CID 103542065
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
4-[(2R)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-phosphonopropanoyl]piperazine-1-carboxylic acid
CID 134366834
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
[(1R)-3-(4-butoxycarbonylpiperazin-1-yl)-1-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]phosphonic acid
CID 123617386
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
bis(ethoxycarbonyloxy)methoxy-[(2R)-3-(4-ethoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]-oxophosphanium
CID 90713463
tert-butyl 5-(4-ethoxycarbonyloxypiperazin-1-yl)-4-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoate
CID 67999388
butyl 4-[(2R)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-(oxo-λ5-phosphanylidyne)pentanoyl]piperazine-1-carboxylate
CID 141235651
butyl 4-[(2S)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-(oxo-λ5-phosphanylidyne)pentanoyl]piperazine-1-carboxylate
CID 141235619

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 123494824) is 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide is COC1CCN(c2cc(C(N)=O)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is SZHDVGNXIGQEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-12-7-8-20(10-12)14-9-13(15(17)21)18-16(19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 123494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).