6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine

C15H22N4OS — CID 106928672

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)c(C)o2)nc(CCC)n1
InChIInChI=1S/C15H22N4OS/c1-5-7-12-18-13(16-8-6-2)9-14(19-12)21-15-17-10(3)11(4)20-15/h9H,5-8H2,1-4H3,(H,16,18,19)
InChIKeyNNTHYPOMZLAWFV-UHFFFAOYSA-N
MW306.44 g/mol
LogP4.01
Rot. Bonds7

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine (PubChem CID 106928672) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
PubChem CID106928672
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc(C)c(C)o2)nc(CCC)n1
InChIInChI=1S/C15H22N4OS/c1-5-7-12-18-13(16-8-6-2)9-14(19-12)21-15-17-10(3)11(4)20-15/h9H,5-8H2,1-4H3,(H,16,18,19)
InChIKeyNNTHYPOMZLAWFV-UHFFFAOYSA-N
XLogP4.01
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891676
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943054

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine (CID 106928672) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(Sc2nc(C)c(C)o2)nc(CCC)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine?
The InChIKey is NNTHYPOMZLAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-7-12-18-13(16-8-6-2)9-14(19-12)21-15-17-10(3)11(4)20-15/h9H,5-8H2,1-4H3,(H,16,18,19).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106928672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).