N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide

C17H20N4O2 — CID 153230579

IUPACN-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C17H20N4O2/c1-18-17(22)14-9-20-16(21-10-14)8-12-2-4-13(5-3-12)15-11-19-6-7-23-15/h2-5,9-10,15,19H,6-8,11H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyWPLYRQCFGPAENK-OAHLLOKOSA-N
MW312.37 g/mol
LogP1.09
Rot. Bonds4

About N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide

N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 153230579) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID153230579
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C17H20N4O2/c1-18-17(22)14-9-20-16(21-10-14)8-12-2-4-13(5-3-12)15-11-19-6-7-23-15/h2-5,9-10,15,19H,6-8,11H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyWPLYRQCFGPAENK-OAHLLOKOSA-N
XLogP1.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide (CID 153230579) is N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide is CNC(=O)c1cnc(Cc2ccc([C@H]3CNCCO3)cc2)nc1.
What is the InChIKey of N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WPLYRQCFGPAENK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-18-17(22)14-9-20-16(21-10-14)8-12-2-4-13(5-3-12)15-11-19-6-7-23-15/h2-5,9-10,15,19H,6-8,11H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide?
N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 153230579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).