(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide

C19H20N6O2 — CID 122291873

IUPAC(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)[C@H]3CCOC3)cc2)ncn1
InChIInChI=1S/C19H20N6O2/c1-13-20-7-8-25(13)18-10-17(21-12-22-18)23-15-2-4-16(5-3-15)24-19(26)14-6-9-27-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,24,26)(H,21,22,23)/t14-/m0/s1
InChIKeyCWQKMNNGNWBOEO-AWEZNQCLSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds5

About (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide

(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide (PubChem CID 122291873) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
PubChem CID122291873
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)[C@H]3CCOC3)cc2)ncn1
InChIInChI=1S/C19H20N6O2/c1-13-20-7-8-25(13)18-10-17(21-12-22-18)23-15-2-4-16(5-3-15)24-19(26)14-6-9-27-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,24,26)(H,21,22,23)/t14-/m0/s1
InChIKeyCWQKMNNGNWBOEO-AWEZNQCLSA-N
XLogP2.69
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
CID 122290663
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3,5-dinitrobenzamide
CID 121073995
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074292
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969
N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 154829351

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide (CID 122291873) is (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide is Cc1nccn1-c1cc(Nc2ccc(NC(=O)[C@H]3CCOC3)cc2)ncn1.
What is the InChIKey of (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide?
The InChIKey is CWQKMNNGNWBOEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-20-7-8-25(13)18-10-17(21-12-22-18)23-15-2-4-16(5-3-15)24-19(26)14-6-9-27-11-14/h2-5,7-8,10,12,14H,6,9,11H2,1H3,(H,24,26)(H,21,22,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide?
(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 122291873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).