4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C14H17N5OS — CID 103328837

IUPAC4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2c(C)noc2C)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5OS/c1-7-5-10-12(17-14(15-4)18-13(10)21-7)16-6-11-8(2)19-20-9(11)3/h5H,6H2,1-4H3,(H2,15,16,17,18)
InChIKeyHILXKWNFNDNBKY-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.26
Rot. Bonds4

About 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328837) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328837
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2c(C)noc2C)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5OS/c1-7-5-10-12(17-14(15-4)18-13(10)21-7)16-6-11-8(2)19-20-9(11)3/h5H,6H2,1-4H3,(H2,15,16,17,18)
InChIKeyHILXKWNFNDNBKY-UHFFFAOYSA-N
XLogP3.26
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411875
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-N,6-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329068
2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106898231
2-N,6-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106412071
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326759
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324349
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328837) is 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2c(C)noc2C)c2cc(C)sc2n1.
What is the InChIKey of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HILXKWNFNDNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-7-5-10-12(17-14(15-4)18-13(10)21-7)16-6-11-8(2)19-20-9(11)3/h5H,6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 303.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).