4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine

C16H26N4 — CID 129060013

IUPAC4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine
SMILESC=C/C=C\C(=C)CCC1N=C(N(C)C)C(NC)=CN1C
InChIInChI=1S/C16H26N4/c1-7-8-9-13(2)10-11-15-18-16(19(4)5)14(17-3)12-20(15)6/h7-9,12,15,17H,1-2,10-11H2,3-6H3/b9-8-
InChIKeyRACLSFHDSZEQRC-HJWRWDBZSA-N
MW274.41 g/mol
LogP2.36
Rot. Bonds6

About 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine

4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine (PubChem CID 129060013) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine
PubChem CID129060013
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine
SMILESC=C/C=C\C(=C)CCC1N=C(N(C)C)C(NC)=CN1C
InChIInChI=1S/C16H26N4/c1-7-8-9-13(2)10-11-15-18-16(19(4)5)14(17-3)12-20(15)6/h7-9,12,15,17H,1-2,10-11H2,3-6H3/b9-8-
InChIKeyRACLSFHDSZEQRC-HJWRWDBZSA-N
XLogP2.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine (CID 129060013) is 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine is C=C/C=C\C(=C)CCC1N=C(N(C)C)C(NC)=CN1C.
What is the InChIKey of 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine?
The InChIKey is RACLSFHDSZEQRC-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H26N4/c1-7-8-9-13(2)10-11-15-18-16(19(4)5)14(17-3)12-20(15)6/h7-9,12,15,17H,1-2,10-11H2,3-6H3/b9-8-.
What are the key properties of 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine?
4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine is sourced from PubChem (CID 129060013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).