2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

C16H18N4O2 — CID 97126626

IUPAC2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C16H18N4O2/c21-15(17-11-14-7-4-8-22-14)12-9-18-16(19-10-12)20-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,17,21)(H,18,19,20)/t14-/m0/s1
InChIKeyCBGMIAGOWSVKRX-AWEZNQCLSA-N
MW298.35 g/mol
LogP2.13
Rot. Bonds5

About 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 97126626) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID97126626
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C16H18N4O2/c21-15(17-11-14-7-4-8-22-14)12-9-18-16(19-10-12)20-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,17,21)(H,18,19,20)/t14-/m0/s1
InChIKeyCBGMIAGOWSVKRX-AWEZNQCLSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
2-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252426
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (CID 97126626) is 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is O=C(NC[C@@H]1CCCO1)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is CBGMIAGOWSVKRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(17-11-14-7-4-8-22-14)12-9-18-16(19-10-12)20-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,17,21)(H,18,19,20)/t14-/m0/s1.
What are the key properties of 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97126626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).