2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine

C15H28N4 — CID 129059909

IUPAC2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine
SMILESC=C/C=C\CCCC1N(C)C=C(NC)C(NC)N1C
InChIInChI=1S/C15H28N4/c1-6-7-8-9-10-11-14-18(4)12-13(16-2)15(17-3)19(14)5/h6-8,12,14-17H,1,9-11H2,2-5H3/b8-7-
InChIKeySXBLKJPBFCRVFO-FPLPWBNLSA-N
MW264.42 g/mol
LogP1.71
Rot. Bonds7

About 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine

2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine (PubChem CID 129059909) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine
PubChem CID129059909
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine
SMILESC=C/C=C\CCCC1N(C)C=C(NC)C(NC)N1C
InChIInChI=1S/C15H28N4/c1-6-7-8-9-10-11-14-18(4)12-13(16-2)15(17-3)19(14)5/h6-8,12,14-17H,1,9-11H2,2-5H3/b8-7-
InChIKeySXBLKJPBFCRVFO-FPLPWBNLSA-N
XLogP1.71
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine?
The IUPAC name of 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine (CID 129059909) is 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine.
What is the SMILES notation for 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine?
The canonical SMILES for 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine is C=C/C=C\CCCC1N(C)C=C(NC)C(NC)N1C.
What is the InChIKey of 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine?
The InChIKey is SXBLKJPBFCRVFO-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-7-8-9-10-11-14-18(4)12-13(16-2)15(17-3)19(14)5/h6-8,12,14-17H,1,9-11H2,2-5H3/b8-7-.
What are the key properties of 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine?
2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-hepta-4,6-dienyl]-4-N,5-N,1,3-tetramethyl-2,4-dihydropyrimidine-4,5-diamine is sourced from PubChem (CID 129059909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).