2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4OS — CID 103329415

IUPAC2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2C)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-8-10(4-6-18-8)17(3)11-9-5-7-19-12(9)16-13(14-2)15-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeySBNXOMTXMNLYKA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.35
Rot. Bonds3

About 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329415) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329415
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2C)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-8-10(4-6-18-8)17(3)11-9-5-7-19-12(9)16-13(14-2)15-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeySBNXOMTXMNLYKA-UHFFFAOYSA-N
XLogP2.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322269
2-N,4-N-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325764
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
N-(4,4-dimethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334638

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329415) is 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)C2CCOC2C)c2ccsc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SBNXOMTXMNLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-10(4-6-18-8)17(3)11-9-5-7-19-12(9)16-13(14-2)15-11/h5,7-8,10H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).