N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine

C20H20N4 — CID 99805928

IUPACN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NC[C@@H]2Cc3ccccc32)nc(-c2ccccn2)n1
InChIInChI=1S/C20H20N4/c1-2-16-12-19(24-20(23-16)18-9-5-6-10-21-18)22-13-15-11-14-7-3-4-8-17(14)15/h3-10,12,15H,2,11,13H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyMAIZKDVNGAYEMB-HNNXBMFYSA-N
MW316.41 g/mol
LogP3.85
Rot. Bonds5

About N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 99805928) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID99805928
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NC[C@@H]2Cc3ccccc32)nc(-c2ccccn2)n1
InChIInChI=1S/C20H20N4/c1-2-16-12-19(24-20(23-16)18-9-5-6-10-21-18)22-13-15-11-14-7-3-4-8-17(14)15/h3-10,12,15H,2,11,13H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyMAIZKDVNGAYEMB-HNNXBMFYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133459201
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
6-ethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133290389
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487610
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80788844
6-ethyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291049
6-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133294382
N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
CID 114767786
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 99805928) is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine is CCc1cc(NC[C@@H]2Cc3ccccc32)nc(-c2ccccn2)n1.
What is the InChIKey of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is MAIZKDVNGAYEMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-16-12-19(24-20(23-16)18-9-5-6-10-21-18)22-13-15-11-14-7-3-4-8-17(14)15/h3-10,12,15H,2,11,13H2,1H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 99805928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).