N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine

C13H17ClN4S — CID 114133090

IUPACN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNc1nc(Cl)nc2sccc12)C1CC1
InChIInChI=1S/C13H17ClN4S/c1-2-18(9-3-4-9)7-6-15-11-10-5-8-19-12(10)17-13(14)16-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyQRBIHOMKJYGWAA-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.24
Rot. Bonds6

About N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine

N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine (PubChem CID 114133090) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
PubChem CID114133090
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC NameN-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNc1nc(Cl)nc2sccc12)C1CC1
InChIInChI=1S/C13H17ClN4S/c1-2-18(9-3-4-9)7-6-15-11-10-5-8-19-12(10)17-13(14)16-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyQRBIHOMKJYGWAA-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine with MolForge

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Related Compounds

2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
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-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114109137
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62208735

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The IUPAC name of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine (CID 114133090) is N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine is CCN(CCNc1nc(Cl)nc2sccc12)C1CC1.
What is the InChIKey of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The InChIKey is QRBIHOMKJYGWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-2-18(9-3-4-9)7-6-15-11-10-5-8-19-12(10)17-13(14)16-11/h5,8-9H,2-4,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine has a molecular weight of 296.83 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 114133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).