6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine

C13H19N7O — CID 143734242

IUPAC6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine
SMILESCC1(N)N=C(N2CCOCC2)C=C(c2cnc(N)nc2)N1
InChIInChI=1S/C13H19N7O/c1-13(15)18-10(9-7-16-12(14)17-8-9)6-11(19-13)20-2-4-21-5-3-20/h6-8,18H,2-5,15H2,1H3,(H2,14,16,17)
InChIKeyVFIRTRUIVLSJJR-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.63
Rot. Bonds1

About 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine

6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine (PubChem CID 143734242) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine
PubChem CID143734242
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine
SMILESCC1(N)N=C(N2CCOCC2)C=C(c2cnc(N)nc2)N1
InChIInChI=1S/C13H19N7O/c1-13(15)18-10(9-7-16-12(14)17-8-9)6-11(19-13)20-2-4-21-5-3-20/h6-8,18H,2-5,15H2,1H3,(H2,14,16,17)
InChIKeyVFIRTRUIVLSJJR-UHFFFAOYSA-N
XLogP-0.63
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine (CID 143734242) is 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine is CC1(N)N=C(N2CCOCC2)C=C(c2cnc(N)nc2)N1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The InChIKey is VFIRTRUIVLSJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-13(15)18-10(9-7-16-12(14)17-8-9)6-11(19-13)20-2-4-21-5-3-20/h6-8,18H,2-5,15H2,1H3,(H2,14,16,17).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine?
6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-methyl-4-morpholin-4-yl-1H-pyrimidin-2-amine is sourced from PubChem (CID 143734242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).