2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H19ClN4S — CID 103321274

IUPAC2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCC(CNc2nc(Cl)nc3sccc23)CC1
InChIInChI=1S/C14H19ClN4S/c1-2-19-6-3-10(4-7-19)9-16-12-11-5-8-20-13(11)18-14(15)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,17,18)
InChIKeyZVGANZJAISWEPB-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321274) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321274
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCC(CNc2nc(Cl)nc3sccc23)CC1
InChIInChI=1S/C14H19ClN4S/c1-2-19-6-3-10(4-7-19)9-16-12-11-5-8-20-13(11)18-14(15)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,17,18)
InChIKeyZVGANZJAISWEPB-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321359
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325288
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321434
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321274) is 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCN1CCC(CNc2nc(Cl)nc3sccc23)CC1.
What is the InChIKey of 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZVGANZJAISWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-2-19-6-3-10(4-7-19)9-16-12-11-5-8-20-13(11)18-14(15)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).