2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine

C13H18N4OS — CID 106926581

IUPAC2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1coc(Sc2ncc(CNC(C)(C)C)cn2)n1
InChIInChI=1S/C13H18N4OS/c1-9-8-18-12(17-9)19-11-14-5-10(6-15-11)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3
InChIKeyLKEHAQRRTNTCNW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 106926581) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID106926581
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1coc(Sc2ncc(CNC(C)(C)C)cn2)n1
InChIInChI=1S/C13H18N4OS/c1-9-8-18-12(17-9)19-11-14-5-10(6-15-11)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3
InChIKeyLKEHAQRRTNTCNW-UHFFFAOYSA-N
XLogP2.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine (CID 106926581) is 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine is Cc1coc(Sc2ncc(CNC(C)(C)C)cn2)n1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is LKEHAQRRTNTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-8-18-12(17-9)19-11-14-5-10(6-15-11)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 106926581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).