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

C14H17N5OS — CID 106378642

IUPAC2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ncc(C)o2)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5OS/c1-4-15-14-18-12(10-5-9(3)21-13(10)19-14)17-7-11-16-6-8(2)20-11/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19)
InChIKeyVCISUZMEJUZKPV-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.34
Rot. Bonds5

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

2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106378642) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106378642
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ncc(C)o2)c2cc(C)sc2n1
InChIInChI=1S/C14H17N5OS/c1-4-15-14-18-12(10-5-9(3)21-13(10)19-14)17-7-11-16-6-8(2)20-11/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19)
InChIKeyVCISUZMEJUZKPV-UHFFFAOYSA-N
XLogP3.34
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327733
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327668
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805
6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106378619

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 106378642) is 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ncc(C)o2)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VCISUZMEJUZKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-15-14-18-12(10-5-9(3)21-13(10)19-14)17-7-11-16-6-8(2)20-11/h5-6H,4,7H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 303.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106378642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).