4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide

C16H19N5O2 — CID 146107934

IUPAC4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2cc(Nc3ccccc3)ncn2)CC(C(N)=O)O1
InChIInChI=1S/C16H19N5O2/c1-11-8-21(9-13(23-11)16(17)22)15-7-14(18-10-19-15)20-12-5-3-2-4-6-12/h2-7,10-11,13H,8-9H2,1H3,(H2,17,22)(H,18,19,20)
InChIKeyNJSGXACSKFYZSO-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.30
Rot. Bonds4

About 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide

4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 146107934) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide
PubChem CID146107934
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2cc(Nc3ccccc3)ncn2)CC(C(N)=O)O1
InChIInChI=1S/C16H19N5O2/c1-11-8-21(9-13(23-11)16(17)22)15-7-14(18-10-19-15)20-12-5-3-2-4-6-12/h2-7,10-11,13H,8-9H2,1H3,(H2,17,22)(H,18,19,20)
InChIKeyNJSGXACSKFYZSO-UHFFFAOYSA-N
XLogP1.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 67695006
1-[1-(6-anilinopyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 167963785
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
methyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboxylate
CID 129497950
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 70344036
3-[[6-(4-ethoxycarbonylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193085
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
1-[6-(3-acetylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192798

Frequently Asked Questions

What is the IUPAC name of 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide (CID 146107934) is 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide is CC1CN(c2cc(Nc3ccccc3)ncn2)CC(C(N)=O)O1.
What is the InChIKey of 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is NJSGXACSKFYZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-8-21(9-13(23-11)16(17)22)15-7-14(18-10-19-15)20-12-5-3-2-4-6-12/h2-7,10-11,13H,8-9H2,1H3,(H2,17,22)(H,18,19,20).
What are the key properties of 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide?
4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146107934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).