N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C13H16ClN3S — CID 114146588

IUPACN-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CCC(Cl)C3)ncnc12
InChIInChI=1S/C13H16ClN3S/c1-8-6-18-12-11(8)16-7-17-13(12)15-5-9-2-3-10(14)4-9/h6-7,9-10H,2-5H2,1H3,(H,15,16,17)
InChIKeyMNINXSPQJFFZPN-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.82
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 114146588) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID114146588
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CCC(Cl)C3)ncnc12
InChIInChI=1S/C13H16ClN3S/c1-8-6-18-12-11(8)16-7-17-13(12)15-5-9-2-3-10(14)4-9/h6-7,9-10H,2-5H2,1H3,(H,15,16,17)
InChIKeyMNINXSPQJFFZPN-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.82
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

7-methyl-N-[(2-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686404
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686498
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
N-[2-(aminomethyl)cyclohexyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686896
N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 106123831
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 114146588) is N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCC3CCC(Cl)C3)ncnc12.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MNINXSPQJFFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8-6-18-12-11(8)16-7-17-13(12)15-5-9-2-3-10(14)4-9/h6-7,9-10H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114146588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).