6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione

C14H19N3O2 — CID 142030316

IUPAC6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESC=C(/C=C(/CC)C(=C)C)Nc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-6-11(9(2)3)7-10(4)15-12-8-13(18)17(5)14(19)16-12/h7-8,15H,2,4,6H2,1,3,5H3,(H,16,19)/b11-7-
InChIKeyKIPZKQPDOZQZKS-XFFZJAGNSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds5

About 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione

6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 142030316) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID142030316
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESC=C(/C=C(/CC)C(=C)C)Nc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-6-11(9(2)3)7-10(4)15-12-8-13(18)17(5)14(19)16-12/h7-8,15H,2,4,6H2,1,3,5H3,(H,16,19)/b11-7-
InChIKeyKIPZKQPDOZQZKS-XFFZJAGNSA-N
XLogP1.91
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione (CID 142030316) is 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione is C=C(/C=C(/CC)C(=C)C)Nc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KIPZKQPDOZQZKS-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-6-11(9(2)3)7-10(4)15-12-8-13(18)17(5)14(19)16-12/h7-8,15H,2,4,6H2,1,3,5H3,(H,16,19)/b11-7-.
What are the key properties of 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3Z)-4-ethyl-5-methylhexa-1,3,5-trien-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142030316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).