N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine

C24H31N3 — CID 170182821

IUPACN-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(C)C1=C(C)C(=C)N(C)C(N(C)C(C2=CCCC=C2)C2=CC=CCC2)=N1
InChIInChI=1S/C24H31N3/c1-17(2)22-18(3)19(4)26(5)24(25-22)27(6)23(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7,9,11,13,15-16,23H,1,4,8,10,12,14H2,2-3,5-6H3
InChIKeyDBQPOAJILXTPAT-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.50
Rot. Bonds4

About N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine

N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine (PubChem CID 170182821) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine
PubChem CID170182821
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC NameN-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(C)C1=C(C)C(=C)N(C)C(N(C)C(C2=CCCC=C2)C2=CC=CCC2)=N1
InChIInChI=1S/C24H31N3/c1-17(2)22-18(3)19(4)26(5)24(25-22)27(6)23(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7,9,11,13,15-16,23H,1,4,8,10,12,14H2,2-3,5-6H3
InChIKeyDBQPOAJILXTPAT-UHFFFAOYSA-N
XLogP5.50
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine;propane
CID 144132360
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine;ethene
CID 144132393
ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461577
N-cyclohexa-1,3-dien-1-yl-N'-cyclohexa-2,4-dien-1-yl-N-(N-cyclohexa-2,4-dien-1-yl-N,N'-dimethylcarbamimidoyl)methanimidamide
CID 163828632
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
CID 173403073
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
CID 70416977
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine
CID 144132361

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine?
The IUPAC name of N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine (CID 170182821) is N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine is C=C(C)C1=C(C)C(=C)N(C)C(N(C)C(C2=CCCC=C2)C2=CC=CCC2)=N1.
What is the InChIKey of N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine?
The InChIKey is DBQPOAJILXTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-17(2)22-18(3)19(4)26(5)24(25-22)27(6)23(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7,9,11,13,15-16,23H,1,4,8,10,12,14H2,2-3,5-6H3.
What are the key properties of N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine?
N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine has a molecular weight of 361.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine is sourced from PubChem (CID 170182821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).