2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine

C11H11BrN4 — CID 116795732

IUPAC2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)7-15-11-14-6-5-10(13)16-11/h1-6H,7H2,(H3,13,14,15,16)
InChIKeyHIUSJJFAOFYWAA-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.43
Rot. Bonds3

About 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine

2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 116795732) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID116795732
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)7-15-11-14-6-5-10(13)16-11/h1-6H,7H2,(H3,13,14,15,16)
InChIKeyHIUSJJFAOFYWAA-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
CID 78988997
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
2-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 103113864
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine (CID 116795732) is 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine is Nc1ccnc(NCc2ccccc2Br)n1.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HIUSJJFAOFYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-9-4-2-1-3-8(9)7-15-11-14-6-5-10(13)16-11/h1-6H,7H2,(H3,13,14,15,16).
What are the key properties of 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine?
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).