2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine

C14H20N6O — CID 110257856

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine
SMILESCc1nc(NCc2nccn2C)cc(C2COCCN2)n1
InChIInChI=1S/C14H20N6O/c1-10-18-11(12-9-21-6-4-15-12)7-13(19-10)17-8-14-16-3-5-20(14)2/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZXTGJWQJMBPGAI-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.79
Rot. Bonds4

About 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine

2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine (PubChem CID 110257856) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine
PubChem CID110257856
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine
SMILESCc1nc(NCc2nccn2C)cc(C2COCCN2)n1
InChIInChI=1S/C14H20N6O/c1-10-18-11(12-9-21-6-4-15-12)7-13(19-10)17-8-14-16-3-5-20(14)2/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZXTGJWQJMBPGAI-UHFFFAOYSA-N
XLogP0.79
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine (CID 110257856) is 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine is Cc1nc(NCc2nccn2C)cc(C2COCCN2)n1.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine?
The InChIKey is ZXTGJWQJMBPGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-18-11(12-9-21-6-4-15-12)7-13(19-10)17-8-14-16-3-5-20(14)2/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine?
2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 110257856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).