4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S — CID 103323225

IUPAC4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(N)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-3-5-8-18(9-6-4-2)12-11-7-10-19-13(11)17-14(15)16-12/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyPQUZJHBJGQCPOP-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.68
Rot. Bonds7

About 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine

4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323225) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323225
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(N)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-3-5-8-18(9-6-4-2)12-11-7-10-19-13(11)17-14(15)16-12/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyPQUZJHBJGQCPOP-UHFFFAOYSA-N
XLogP3.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 103325810
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838
4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327608
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326605
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
2-(butylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187720

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323225) is 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCN(CCCC)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PQUZJHBJGQCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-5-8-18(9-6-4-2)12-11-7-10-19-13(11)17-14(15)16-12/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).