5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine

C14H10BrN5 — CID 166223616

IUPAC5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
SMILESBrc1cncnc1Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C14H10BrN5/c15-13-7-18-9-19-14(13)20-12-3-1-10(2-4-12)11-5-16-8-17-6-11/h1-9H,(H,18,19,20)
InChIKeyXCCIGPCGZVFNMH-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.44
Rot. Bonds3

About 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine

5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine (PubChem CID 166223616) has the molecular formula C14H10BrN5 and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
PubChem CID166223616
Molecular FormulaC14H10BrN5
Molecular Weight328.17 g/mol
Exact Mass327.01
IUPAC Name5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
SMILESBrc1cncnc1Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C14H10BrN5/c15-13-7-18-9-19-14(13)20-12-3-1-10(2-4-12)11-5-16-8-17-6-11/h1-9H,(H,18,19,20)
InChIKeyXCCIGPCGZVFNMH-UHFFFAOYSA-N
XLogP3.44
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24782891
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
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N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
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CID 5328266
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-(4-tert-butylphenyl)-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine (CID 166223616) is 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine is Brc1cncnc1Nc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine?
The InChIKey is XCCIGPCGZVFNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5/c15-13-7-18-9-19-14(13)20-12-3-1-10(2-4-12)11-5-16-8-17-6-11/h1-9H,(H,18,19,20).
What are the key properties of 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine?
5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine has a molecular weight of 328.17 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 166223616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).