4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine

C13H16N6O — CID 175079402

IUPAC4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(N)ncc1-c1ccncn1
InChIInChI=1S/C13H16N6O/c1-9-7-20-5-4-19(9)12-10(6-16-13(14)18-12)11-2-3-15-8-17-11/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16,18)/t9-/m0/s1
InChIKeyQYPZUQUPSNQUAO-VIFPVBQESA-N
MW272.31 g/mol
LogP0.74
Rot. Bonds2

About 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine

4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine (PubChem CID 175079402) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine
PubChem CID175079402
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(N)ncc1-c1ccncn1
InChIInChI=1S/C13H16N6O/c1-9-7-20-5-4-19(9)12-10(6-16-13(14)18-12)11-2-3-15-8-17-11/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16,18)/t9-/m0/s1
InChIKeyQYPZUQUPSNQUAO-VIFPVBQESA-N
XLogP0.74
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829320
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 68555623
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
[4-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 81246555
5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780913
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80782226

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine (CID 175079402) is 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine is C[C@H]1COCCN1c1nc(N)ncc1-c1ccncn1.
What is the InChIKey of 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine?
The InChIKey is QYPZUQUPSNQUAO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-7-20-5-4-19(9)12-10(6-16-13(14)18-12)11-2-3-15-8-17-11/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,16,18)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine?
4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methylmorpholin-4-yl]-5-pyrimidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 175079402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).