2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4S — CID 103324100

IUPAC2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)C)c2ccsc2n1
InChIInChI=1S/C12H18N4S/c1-4-13-12-15-10(14-7-8(2)3)9-5-6-17-11(9)16-12/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyLZMWQANPTISGTL-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.19
Rot. Bonds5

About 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324100) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324100
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)C)c2ccsc2n1
InChIInChI=1S/C12H18N4S/c1-4-13-12-15-10(14-7-8(2)3)9-5-6-17-11(9)16-12/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyLZMWQANPTISGTL-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189
4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324100) is 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCC(C)C)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LZMWQANPTISGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-13-12-15-10(14-7-8(2)3)9-5-6-17-11(9)16-12/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).