[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C13H15N5O2S — CID 110271884

IUPAC[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N)cc(C2CN(C(=O)c3cscn3)CCO2)n1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17)
InChIKeyDWVBLCSPGVEKBY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds2

About [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110271884) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110271884
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N)cc(C2CN(C(=O)c3cscn3)CCO2)n1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17)
InChIKeyDWVBLCSPGVEKBY-UHFFFAOYSA-N
XLogP1.04
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271885
N,2-dimethyl-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271888
N,2-dimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271889
N,N,2-trimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271890
2-[2-(Pyrrolidin-1-yl)pyrimidin-4-yl]-4-(1,3-thiazole-4-carbonyl)morpholine
CID 128967718
4-{[(2-amino-6-isopropylpyrimidin-4-yl)carbonyl]amino}-1,5-anhydro-2,4-dideoxy-3-O-(1,3-thiazol-4-ylmethyl)-D-erythro-pentitol
CID 91797464
[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95847389
[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95847390
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847623
[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847624
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847625
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847626

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 110271884) is [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is Cc1nc(N)cc(C2CN(C(=O)c3cscn3)CCO2)n1.
What is the InChIKey of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DWVBLCSPGVEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-16-9(4-12(14)17-8)11-5-18(2-3-20-11)13(19)10-6-21-7-15-10/h4,6-7,11H,2-3,5H2,1H3,(H2,14,16,17).
What are the key properties of [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110271884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).