2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

C15H21N3OS — CID 133408625

IUPAC2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(C(C)C)nc(C(C)C)n2)oc1C
InChIInChI=1S/C15H21N3OS/c1-8(2)12-7-13(18-14(17-12)9(3)4)20-15-16-10(5)11(6)19-15/h7-9H,1-6H3
InChIKeyYVPFWCZDQQEXGH-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.48
Rot. Bonds4

About 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 133408625) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID133408625
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(C(C)C)nc(C(C)C)n2)oc1C
InChIInChI=1S/C15H21N3OS/c1-8(2)12-7-13(18-14(17-12)9(3)4)20-15-16-10(5)11(6)19-15/h7-9H,1-6H3
InChIKeyYVPFWCZDQQEXGH-UHFFFAOYSA-N
XLogP4.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923557
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923495
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 106922446
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
methyl 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanylpropanoate
CID 133408669
1-[5-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923285
(1R)-1-[3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923297
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
CID 106928672
4-bromo-6-(2-methylfuran-3-yl)sulfanyl-2-propan-2-ylpyrimidine
CID 107780843
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928865

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (CID 133408625) is 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2cc(C(C)C)nc(C(C)C)n2)oc1C.
What is the InChIKey of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is YVPFWCZDQQEXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-8(2)12-7-13(18-14(17-12)9(3)4)20-15-16-10(5)11(6)19-15/h7-9H,1-6H3.
What are the key properties of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 291.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 133408625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).