2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine

C15H14ClN3OS — CID 103321473

IUPAC2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCCCOc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H14ClN3OS/c16-15-18-13(12-7-10-21-14(12)19-15)17-8-4-9-20-11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H,17,18,19)
InChIKeyOILJMPUKZVVEKU-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.23
Rot. Bonds6

About 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321473) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321473
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCCCOc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H14ClN3OS/c16-15-18-13(12-7-10-21-14(12)19-15)17-8-4-9-20-11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H,17,18,19)
InChIKeyOILJMPUKZVVEKU-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321473) is 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine is Clc1nc(NCCCOc2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OILJMPUKZVVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c16-15-18-13(12-7-10-21-14(12)19-15)17-8-4-9-20-11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).