N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine

C10H9BrClN3OS — CID 80758459

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cc(Br)cs2)n1
InChIInChI=1S/C10H9BrClN3OS/c1-16-10-14-4-8(12)9(15-10)13-3-7-2-6(11)5-17-7/h2,4-5H,3H2,1H3,(H,13,14,15)
InChIKeyKMFZZTDRBCMZAV-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.57
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine (PubChem CID 80758459) has the molecular formula C10H9BrClN3OS and a molecular weight of 334.63 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
PubChem CID80758459
Molecular FormulaC10H9BrClN3OS
Molecular Weight334.63 g/mol
Exact Mass332.93
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cc(Br)cs2)n1
InChIInChI=1S/C10H9BrClN3OS/c1-16-10-14-4-8(12)9(15-10)13-3-7-2-6(11)5-17-7/h2,4-5H,3H2,1H3,(H,13,14,15)
InChIKeyKMFZZTDRBCMZAV-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 80759146
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80759163
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
5-chloro-2-methoxy-N-[(4-methylsulfinylphenyl)methyl]pyrimidin-4-amine
CID 84589328

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine (CID 80758459) is N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCc2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The InChIKey is KMFZZTDRBCMZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3OS/c1-16-10-14-4-8(12)9(15-10)13-3-7-2-6(11)5-17-7/h2,4-5H,3H2,1H3,(H,13,14,15).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine has a molecular weight of 334.63 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 80758459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).