N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C14H15BrClN3S — CID 106038646

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1ccc(Br)s1
InChIInChI=1S/C14H15BrClN3S/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-7-6-10-4-5-11(15)20-10/h4-5,9H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyXSPYTZKRJXIEPX-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.79
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 106038646) has the molecular formula C14H15BrClN3S and a molecular weight of 372.72 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID106038646
Molecular FormulaC14H15BrClN3S
Molecular Weight372.72 g/mol
Exact Mass370.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1ccc(Br)s1
InChIInChI=1S/C14H15BrClN3S/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-7-6-10-4-5-11(15)20-10/h4-5,9H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyXSPYTZKRJXIEPX-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 106038646) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is XSPYTZKRJXIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3S/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-7-6-10-4-5-11(15)20-10/h4-5,9H,2-3,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 372.72 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106038646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).