N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3S — CID 65027620

IUPACN-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(CCCl)cc3)ncnc2s1
InChIInChI=1S/C15H14ClN3S/c1-10-8-13-14(17-9-18-15(13)20-10)19-12-4-2-11(3-5-12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyOMDLRBZQEUOYKE-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.52
Rot. Bonds4

About N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65027620) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65027620
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(CCCl)cc3)ncnc2s1
InChIInChI=1S/C15H14ClN3S/c1-10-8-13-14(17-9-18-15(13)20-10)19-12-4-2-11(3-5-12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyOMDLRBZQEUOYKE-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.52
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

6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524
N-(3-chloro-4-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4288325
2-N,2-N-dimethyl-5-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 133408655
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
2-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 63617886
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-[4-(2-methylsulfonylethyl)phenyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133398054
N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106167969
2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
CID 133408641
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65029549
N-[2-(chloromethyl)-2-ethylbutyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106252993

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 65027620) is N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(CCCl)cc3)ncnc2s1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OMDLRBZQEUOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-8-13-14(17-9-18-15(13)20-10)19-12-4-2-11(3-5-12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65027620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).