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

C14H22N4S — CID 103324258

IUPAC4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCCC)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-3-5-6-9-15-12-11-7-10-19-13(11)18-14(17-12)16-8-4-2/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCEVVVZZSMQJEFU-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.12
Rot. Bonds8

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

4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324258) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324258
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCCC)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-3-5-6-9-15-12-11-7-10-19-13(11)18-14(17-12)16-8-4-2/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCEVVVZZSMQJEFU-UHFFFAOYSA-N
XLogP4.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159

Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324258) is 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCCNc1nc(NCCC)nc2sccc12.
What is the InChIKey of 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CEVVVZZSMQJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-5-6-9-15-12-11-7-10-19-13(11)18-14(17-12)16-8-4-2/h7,10H,3-6,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).