N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

C17H22N4OS — CID 71888229

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nc(C)c(C)o2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H22N4OS/c1-9(2)6-13-8-23-17-15(13)16(20-12(5)21-17)18-7-14-19-10(3)11(4)22-14/h8-9H,6-7H2,1-5H3,(H,18,20,21)
InChIKeyATXUFSZQIWAKKM-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.42
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71888229) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71888229
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nc(C)c(C)o2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H22N4OS/c1-9(2)6-13-8-23-17-15(13)16(20-12(5)21-17)18-7-14-19-10(3)11(4)22-14/h8-9H,6-7H2,1-5H3,(H,18,20,21)
InChIKeyATXUFSZQIWAKKM-UHFFFAOYSA-N
XLogP4.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 71888229) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2nc(C)c(C)o2)c2c(CC(C)C)csc2n1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ATXUFSZQIWAKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-9(2)6-13-8-23-17-15(13)16(20-12(5)21-17)18-7-14-19-10(3)11(4)22-14/h8-9H,6-7H2,1-5H3,(H,18,20,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 330.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71888229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).