N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C15H14BrClFN3 — CID 106193577

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrClFN3/c1-8-13(17)20-15(9-2-3-9)21-14(8)19-7-10-6-11(18)4-5-12(10)16/h4-6,9H,2-3,7H2,1H3,(H,19,20,21)
InChIKeyIRCRFUUJLNZAJK-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.83
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 106193577) has the molecular formula C15H14BrClFN3 and a molecular weight of 370.65 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID106193577
Molecular FormulaC15H14BrClFN3
Molecular Weight370.65 g/mol
Exact Mass369.00
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrClFN3/c1-8-13(17)20-15(9-2-3-9)21-14(8)19-7-10-6-11(18)4-5-12(10)16/h4-6,9H,2-3,7H2,1H3,(H,19,20,21)
InChIKeyIRCRFUUJLNZAJK-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 106193577) is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is IRCRFUUJLNZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN3/c1-8-13(17)20-15(9-2-3-9)21-14(8)19-7-10-6-11(18)4-5-12(10)16/h4-6,9H,2-3,7H2,1H3,(H,19,20,21).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 370.65 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106193577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).