4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine

C13H19BrN4 — CID 114072320

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2CC3CCC2C3)c1Br
InChIInChI=1S/C13H19BrN4/c1-15-12-11(14)13(18-7-17-12)16-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,16,17,18)
InChIKeyFHISHPVJRSETGJ-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.13
Rot. Bonds4

About 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114072320) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine
PubChem CID114072320
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2CC3CCC2C3)c1Br
InChIInChI=1S/C13H19BrN4/c1-15-12-11(14)13(18-7-17-12)16-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,16,17,18)
InChIKeyFHISHPVJRSETGJ-UHFFFAOYSA-N
XLogP3.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 63684841
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834683
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
CID 107057745

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine (CID 114072320) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(NCC2CC3CCC2C3)c1Br.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is FHISHPVJRSETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-15-12-11(14)13(18-7-17-12)16-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 311.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114072320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).