4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C15H22N4S — CID 103327411

IUPAC4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CC2CCC2)c2ccsc2n1
InChIInChI=1S/C15H22N4S/c1-3-8-16-15-17-13(12-7-9-20-14(12)18-15)19(2)10-11-5-4-6-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17,18)
InChIKeyCYZDKIRLIYYYFG-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.75
Rot. Bonds6

About 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327411) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327411
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CC2CCC2)c2ccsc2n1
InChIInChI=1S/C15H22N4S/c1-3-8-16-15-17-13(12-7-9-20-14(12)18-15)19(2)10-11-5-4-6-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17,18)
InChIKeyCYZDKIRLIYYYFG-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-N-(cyclopropylmethyl)-4-N,6-dimethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325410
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
4-(cyclopentylmethoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332973
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327411) is 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N(C)CC2CCC2)c2ccsc2n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CYZDKIRLIYYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-8-16-15-17-13(12-7-9-20-14(12)18-15)19(2)10-11-5-4-6-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).