2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide

C21H26N4O2 — CID 126653558

IUPAC2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide
SMILESCC[C@@]1(Cc2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2)CNCCO1
InChIInChI=1S/C21H26N4O2/c1-2-21(14-22-9-10-27-21)11-15-3-7-18(8-4-15)25-20(26)17-12-23-19(24-13-17)16-5-6-16/h3-4,7-8,12-13,16,22H,2,5-6,9-11,14H2,1H3,(H,25,26)/t21-/m1/s1
InChIKeyYNMOENNKUMVMGF-OAQYLSRUSA-N
MW366.46 g/mol
LogP2.92
Rot. Bonds6

About 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide (PubChem CID 126653558) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide
PubChem CID126653558
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide
SMILESCC[C@@]1(Cc2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2)CNCCO1
InChIInChI=1S/C21H26N4O2/c1-2-21(14-22-9-10-27-21)11-15-3-7-18(8-4-15)25-20(26)17-12-23-19(24-13-17)16-5-6-16/h3-4,7-8,12-13,16,22H,2,5-6,9-11,14H2,1H3,(H,25,26)/t21-/m1/s1
InChIKeyYNMOENNKUMVMGF-OAQYLSRUSA-N
XLogP2.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]benzamide
CID 129168486
2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
CID 131921782
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
6-chloro-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridine-3-carboxamide;N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 158319609
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
CID 165450302

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide (CID 126653558) is 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide is CC[C@@]1(Cc2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2)CNCCO1.
What is the InChIKey of 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide?
The InChIKey is YNMOENNKUMVMGF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-21(14-22-9-10-27-21)11-15-3-7-18(8-4-15)25-20(26)17-12-23-19(24-13-17)16-5-6-16/h3-4,7-8,12-13,16,22H,2,5-6,9-11,14H2,1H3,(H,25,26)/t21-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[[(2R)-2-ethylmorpholin-2-yl]methyl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126653558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).