4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S — CID 103324118

IUPAC4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CC)c2ccsc2n1
InChIInChI=1S/C14H22N4S/c1-4-8-15-14-17-12(16-10(5-2)6-3)11-7-9-19-13(11)18-14/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOVKDAYLKTLWFIN-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.11
Rot. Bonds7

About 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324118) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324118
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CC)c2ccsc2n1
InChIInChI=1S/C14H22N4S/c1-4-8-15-14-17-12(16-10(5-2)6-3)11-7-9-19-13(11)18-14/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOVKDAYLKTLWFIN-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324118) is 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(CC)CC)c2ccsc2n1.
What is the InChIKey of 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OVKDAYLKTLWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-8-15-14-17-12(16-10(5-2)6-3)11-7-9-19-13(11)18-14/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).