N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

C11H16N4S — CID 62663560

IUPACN-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCCNCCNc1ncnc2sccc12
InChIInChI=1S/C11H16N4S/c1-2-4-12-5-6-13-10-9-3-7-16-11(9)15-8-14-10/h3,7-8,12H,2,4-6H2,1H3,(H,13,14,15)
InChIKeyUECZGEDVJWVPOB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.10
Rot. Bonds6

About N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 62663560) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID62663560
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCCNCCNc1ncnc2sccc12
InChIInChI=1S/C11H16N4S/c1-2-4-12-5-6-13-10-9-3-7-16-11(9)15-8-14-10/h3,7-8,12H,2,4-6H2,1H3,(H,13,14,15)
InChIKeyUECZGEDVJWVPOB-UHFFFAOYSA-N
XLogP2.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.10
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

N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 126840173
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (CID 62663560) is N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is CCCNCCNc1ncnc2sccc12.
What is the InChIKey of N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is UECZGEDVJWVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-4-12-5-6-13-10-9-3-7-16-11(9)15-8-14-10/h3,7-8,12H,2,4-6H2,1H3,(H,13,14,15).
What are the key properties of N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62663560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).