2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

C18H17BrN4 — CID 57393997

IUPAC2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H17BrN4/c1-13-11-17(21-10-8-14-3-2-9-20-12-14)23-18(22-13)15-4-6-16(19)7-5-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,22,23)
InChIKeyDEYDPESEUANZFX-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.26
Rot. Bonds5

About 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 57393997) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID57393997
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H17BrN4/c1-13-11-17(21-10-8-14-3-2-9-20-12-14)23-18(22-13)15-4-6-16(19)7-5-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,22,23)
InChIKeyDEYDPESEUANZFX-UHFFFAOYSA-N
XLogP4.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (CID 57393997) is 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is Cc1cc(NCCc2cccnc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is DEYDPESEUANZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-13-11-17(21-10-8-14-3-2-9-20-12-14)23-18(22-13)15-4-6-16(19)7-5-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 369.27 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 57393997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).