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

C14H12ClN3S — CID 102686195

IUPACN-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCc3ccc(Cl)cc3)ncnc12
InChIInChI=1S/C14H12ClN3S/c1-9-7-19-13-12(9)17-8-18-14(13)16-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChIKeyYCSXOILYANYVOS-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686195) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686195
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC NameN-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCc3ccc(Cl)cc3)ncnc12
InChIInChI=1S/C14H12ClN3S/c1-9-7-19-13-12(9)17-8-18-14(13)16-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChIKeyYCSXOILYANYVOS-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720
7-methyl-N-(1,2-oxazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106419173
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
CID 3824853
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
N-[(3-ethyl-2-pyridinyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686617
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686195) is N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCc3ccc(Cl)cc3)ncnc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YCSXOILYANYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-7-19-13-12(9)17-8-18-14(13)16-6-10-2-4-11(15)5-3-10/h2-5,7-8H,6H2,1H3,(H,16,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).