2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine

C7H9BrN4 — CID 116797364

IUPAC2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(Br)CNc1nccc(N)n1
InChIInChI=1S/C7H9BrN4/c1-5(8)4-11-7-10-3-2-6(9)12-7/h2-3H,1,4H2,(H3,9,10,11,12)
InChIKeyTXHWWEDTTJEWTQ-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.38
Rot. Bonds3

About 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine

2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine (PubChem CID 116797364) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
PubChem CID116797364
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC Name2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(Br)CNc1nccc(N)n1
InChIInChI=1S/C7H9BrN4/c1-5(8)4-11-7-10-3-2-6(9)12-7/h2-3H,1,4H2,(H3,9,10,11,12)
InChIKeyTXHWWEDTTJEWTQ-UHFFFAOYSA-N
XLogP1.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 115978168
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
CID 116795732
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 116795995
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine (CID 116797364) is 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine is C=C(Br)CNc1nccc(N)n1.
What is the InChIKey of 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine?
The InChIKey is TXHWWEDTTJEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c1-5(8)4-11-7-10-3-2-6(9)12-7/h2-3H,1,4H2,(H3,9,10,11,12).
What are the key properties of 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine?
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine has a molecular weight of 229.08 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).