N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H11BrClN3S — CID 103320817

IUPACN-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3cccc(Br)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H11BrClN3S/c1-8-5-11-12(18-14(16)19-13(11)20-8)17-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyCJPKKKRUVHKWQO-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.03
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320817) has the molecular formula C14H11BrClN3S and a molecular weight of 368.69 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320817
Molecular FormulaC14H11BrClN3S
Molecular Weight368.69 g/mol
Exact Mass366.95
IUPAC NameN-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3cccc(Br)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H11BrClN3S/c1-8-5-11-12(18-14(16)19-13(11)20-8)17-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyCJPKKKRUVHKWQO-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
CID 18460199
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103320817) is N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3cccc(Br)c3)nc(Cl)nc2s1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CJPKKKRUVHKWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3S/c1-8-5-11-12(18-14(16)19-13(11)20-8)17-7-9-3-2-4-10(15)6-9/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.69 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).