2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C35H32Br2N8 — CID 157451665

IUPAC2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCc2ccccn2)nc(-c2ccc(Br)cc2)n1.Cc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H17BrN4.C17H15BrN4/c1-2-15-11-17(21-12-16-5-3-4-10-20-16)23-18(22-15)13-6-8-14(19)9-7-13;1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h3-11H,2,12H2,1H3,(H,21,22,23);2-10H,11H2,1H3,(H,20,21,22)
InChIKeyBSWJEQACOQKVOK-UHFFFAOYSA-N
MW724.51 g/mol
LogP8.70
Rot. Bonds9

About 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 157451665) has the molecular formula C35H32Br2N8 and a molecular weight of 724.51 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID157451665
Molecular FormulaC35H32Br2N8
Molecular Weight724.51 g/mol
Exact Mass722.11
IUPAC Name2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCc2ccccn2)nc(-c2ccc(Br)cc2)n1.Cc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H17BrN4.C17H15BrN4/c1-2-15-11-17(21-12-16-5-3-4-10-20-16)23-18(22-15)13-6-8-14(19)9-7-13;1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h3-11H,2,12H2,1H3,(H,21,22,23);2-10H,11H2,1H3,(H,20,21,22)
InChIKeyBSWJEQACOQKVOK-UHFFFAOYSA-N
XLogP8.70
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.51
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
AS1535907
CID 10200069
6-(5-bromo-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-2-phenylpyrimidin-4-amine
CID 4107603
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
Pyrido[4,3-d]pyrimidine deriv. 3l
CID 5328306
Pyrido[4,3-d]pyrimidine deriv. 3p
CID 5328310
4-N-(3-bromophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328315
4-N-(3-bromophenyl)-6-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328365
4-[(3-Bromophenyl)amino]-6-[[2-(2-pyridyl)ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328366
N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328369
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 157451665) is 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CCc1cc(NCc2ccccn2)nc(-c2ccc(Br)cc2)n1.Cc1cc(NCc2cccnc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is BSWJEQACOQKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4.C17H15BrN4/c1-2-15-11-17(21-12-16-5-3-4-10-20-16)23-18(22-15)13-6-8-14(19)9-7-13;1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h3-11H,2,12H2,1H3,(H,21,22,23);2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 724.51 g/mol, XLogP of 8.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 157451665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).