N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide

C15H18N6O2 — CID 91966875

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ncccn2)n1
InChIInChI=1S/C15H18N6O2/c1-11-9-13(21-5-7-23-8-6-21)20-12(19-11)10-18-15(22)14-16-3-2-4-17-14/h2-4,9H,5-8,10H2,1H3,(H,18,22)
InChIKeyLRSCXEBXQICDQD-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.34
Rot. Bonds4

About N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide (PubChem CID 91966875) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
PubChem CID91966875
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ncccn2)n1
InChIInChI=1S/C15H18N6O2/c1-11-9-13(21-5-7-23-8-6-21)20-12(19-11)10-18-15(22)14-16-3-2-4-17-14/h2-4,9H,5-8,10H2,1H3,(H,18,22)
InChIKeyLRSCXEBXQICDQD-UHFFFAOYSA-N
XLogP0.34
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122319110
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide (CID 91966875) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2ncccn2)n1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide?
The InChIKey is LRSCXEBXQICDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11-9-13(21-5-7-23-8-6-21)20-12(19-11)10-18-15(22)14-16-3-2-4-17-14/h2-4,9H,5-8,10H2,1H3,(H,18,22).
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 91966875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).