4-N-(3-bromophenyl)pyrimidine-4,6-diamine

C10H9BrN4 — CID 80760494

IUPAC4-N-(3-bromophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H9BrN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
InChIKeyPRZBMCCTZUULBP-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.56
Rot. Bonds2

About 4-N-(3-bromophenyl)pyrimidine-4,6-diamine

4-N-(3-bromophenyl)pyrimidine-4,6-diamine (PubChem CID 80760494) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)pyrimidine-4,6-diamine
PubChem CID80760494
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name4-N-(3-bromophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H9BrN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
InChIKeyPRZBMCCTZUULBP-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
CID 66670014
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 70209213
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)pyrimidine-4,6-diamine (CID 80760494) is 4-N-(3-bromophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)pyrimidine-4,6-diamine is Nc1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 4-N-(3-bromophenyl)pyrimidine-4,6-diamine?
The InChIKey is PRZBMCCTZUULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15).
What are the key properties of 4-N-(3-bromophenyl)pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)pyrimidine-4,6-diamine has a molecular weight of 265.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80760494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).