4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

C16H27N5 — CID 80772094

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C16H27N5/c1-3-6-18-14-9-15(21-16(17)20-14)19-10(2)13-8-11-4-5-12(13)7-11/h9-13H,3-8H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyIJFVJADIAVHPQU-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.12
Rot. Bonds6

About 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80772094) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80772094
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C16H27N5/c1-3-6-18-14-9-15(21-16(17)20-14)19-10(2)13-8-11-4-5-12(13)7-11/h9-13H,3-8H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyIJFVJADIAVHPQU-UHFFFAOYSA-N
XLogP3.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772101
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956121
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43261074
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66325714
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285213

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80772094) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC(C)C2CC3CCC2C3)nc(N)n1.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is IJFVJADIAVHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-6-18-14-9-15(21-16(17)20-14)19-10(2)13-8-11-4-5-12(13)7-11/h9-13H,3-8H2,1-2H3,(H4,17,18,19,20,21).
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 289.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80772094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).