4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C16H25BrN4 — CID 80818030

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H25BrN4/c1-3-6-18-16-19-9-14(17)15(20-16)21(2)10-13-8-11-4-5-12(13)7-11/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyJAFCHNYIWUVWKQ-UHFFFAOYSA-N
MW353.31 g/mol
LogP3.93
Rot. Bonds6

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80818030) has the molecular formula C16H25BrN4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80818030
Molecular FormulaC16H25BrN4
Molecular Weight353.31 g/mol
Exact Mass352.13
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H25BrN4/c1-3-6-18-16-19-9-14(17)15(20-16)21(2)10-13-8-11-4-5-12(13)7-11/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyJAFCHNYIWUVWKQ-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
5-bromo-4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80788308
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80818030) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(N(C)CC2CC3CCC2C3)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JAFCHNYIWUVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4/c1-3-6-18-16-19-9-14(17)15(20-16)21(2)10-13-8-11-4-5-12(13)7-11/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 353.31 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 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-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80818030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).