N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine

C11H14N4OS — CID 106928279

IUPACN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ncco2)c1C(C)C
InChIInChI=1S/C11H14N4OS/c1-7(2)8-9(12-3)14-6-15-10(8)17-11-13-4-5-16-11/h4-7H,1-3H3,(H,12,14,15)
InChIKeyMNRJMJLAHPRMIL-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine

N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 106928279) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID106928279
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ncco2)c1C(C)C
InChIInChI=1S/C11H14N4OS/c1-7(2)8-9(12-3)14-6-15-10(8)17-11-13-4-5-16-11/h4-7H,1-3H3,(H,12,14,15)
InChIKeyMNRJMJLAHPRMIL-UHFFFAOYSA-N
XLogP2.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine (CID 106928279) is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Sc2ncco2)c1C(C)C.
What is the InChIKey of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is MNRJMJLAHPRMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7(2)8-9(12-3)14-6-15-10(8)17-11-13-4-5-16-11/h4-7H,1-3H3,(H,12,14,15).
What are the key properties of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106928279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).