4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine

C20H29N3 — CID 130283095

IUPAC4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(/C=C\C=C(C)C)CCCNc1nc(C)c(C(=C)C)c(C)n1
InChIInChI=1S/C20H29N3/c1-14(2)10-8-11-16(5)12-9-13-21-20-22-17(6)19(15(3)4)18(7)23-20/h8,10-11H,3,5,9,12-13H2,1-2,4,6-7H3,(H,21,22,23)/b11-8-
InChIKeyOVFIQOPUEMFFRD-FLIBITNWSA-N
MW311.47 g/mol
LogP5.40
Rot. Bonds8

About 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine

4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine (PubChem CID 130283095) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine
PubChem CID130283095
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(/C=C\C=C(C)C)CCCNc1nc(C)c(C(=C)C)c(C)n1
InChIInChI=1S/C20H29N3/c1-14(2)10-8-11-16(5)12-9-13-21-20-22-17(6)19(15(3)4)18(7)23-20/h8,10-11H,3,5,9,12-13H2,1-2,4,6-7H3,(H,21,22,23)/b11-8-
InChIKeyOVFIQOPUEMFFRD-FLIBITNWSA-N
XLogP5.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine (CID 130283095) is 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine is C=C(/C=C\C=C(C)C)CCCNc1nc(C)c(C(=C)C)c(C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine?
The InChIKey is OVFIQOPUEMFFRD-FLIBITNWSA-N. The full InChI is InChI=1S/C20H29N3/c1-14(2)10-8-11-16(5)12-9-13-21-20-22-17(6)19(15(3)4)18(7)23-20/h8,10-11H,3,5,9,12-13H2,1-2,4,6-7H3,(H,21,22,23)/b11-8-.
What are the key properties of 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine?
4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine has a molecular weight of 311.47 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(5Z)-8-methyl-4-methylidenenona-5,7-dienyl]-5-prop-1-en-2-ylpyrimidin-2-amine is sourced from PubChem (CID 130283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).