N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C14H18ClN3S — CID 106123831

IUPACN-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCC(Cl)C3)ncnc2s1
InChIInChI=1S/C14H18ClN3S/c1-2-11-6-12-13(17-8-18-14(12)19-11)16-7-9-3-4-10(15)5-9/h6,8-10H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyNGXCOGUPRZSASG-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.07
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106123831) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106123831
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCC(Cl)C3)ncnc2s1
InChIInChI=1S/C14H18ClN3S/c1-2-11-6-12-13(17-8-18-14(12)19-11)16-7-9-3-4-10(15)5-9/h6,8-10H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyNGXCOGUPRZSASG-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 61233127
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133282185
N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114146588
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 106123831) is N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCC(Cl)C3)ncnc2s1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NGXCOGUPRZSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-2-11-6-12-13(17-8-18-14(12)19-11)16-7-9-3-4-10(15)5-9/h6,8-10H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).