4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

C16H20N4 — CID 80788757

IUPAC4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2Cc3ccccc32)c1C
InChIInChI=1S/C16H20N4/c1-10-15(17-3)19-11(2)20-16(10)18-9-13-8-12-6-4-5-7-14(12)13/h4-7,13H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYKFXOKUVOAZYRH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.89
Rot. Bonds4

About 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80788757) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80788757
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2Cc3ccccc32)c1C
InChIInChI=1S/C16H20N4/c1-10-15(17-3)19-11(2)20-16(10)18-9-13-8-12-6-4-5-7-14(12)13/h4-7,13H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYKFXOKUVOAZYRH-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
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4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
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N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-diethylaniline
CID 66418127
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4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
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2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
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N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139009856
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
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N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80788757) is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCC2Cc3ccccc32)c1C.
What is the InChIKey of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YKFXOKUVOAZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-15(17-3)19-11(2)20-16(10)18-9-13-8-12-6-4-5-7-14(12)13/h4-7,13H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80788757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).