4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane

C20H38N4 — CID 143574839

IUPAC4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane
SMILESC1CCCCC1.C=C/C(=C(\C)N)c1ccnc(N)n1.CC.CCC
InChIInChI=1S/C9H12N4.C6H12.C3H8.C2H6/c1-3-7(6(2)10)8-4-5-12-9(11)13-8;1-2-4-6-5-3-1;1-3-2;1-2/h3-5H,1,10H2,2H3,(H2,11,12,13);1-6H2;3H2,1-2H3;1-2H3/b7-6-;;;
InChIKeySIANRGUIFQEDKA-YYFHNNNUSA-N
MW334.55 g/mol
LogP5.72
Rot. Bonds2

About 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane

4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane (PubChem CID 143574839) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane.

Molecular Properties

Compound Name4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane
PubChem CID143574839
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane
SMILESC1CCCCC1.C=C/C(=C(\C)N)c1ccnc(N)n1.CC.CCC
InChIInChI=1S/C9H12N4.C6H12.C3H8.C2H6/c1-3-7(6(2)10)8-4-5-12-9(11)13-8;1-2-4-6-5-3-1;1-3-2;1-2/h3-5H,1,10H2,2H3,(H2,11,12,13);1-6H2;3H2,1-2H3;1-2H3/b7-6-;;;
InChIKeySIANRGUIFQEDKA-YYFHNNNUSA-N
XLogP5.72
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane?
The IUPAC name of 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane (CID 143574839) is 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane.
What is the SMILES notation for 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane?
The canonical SMILES for 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane is C1CCCCC1.C=C/C(=C(\C)N)c1ccnc(N)n1.CC.CCC.
What is the InChIKey of 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane?
The InChIKey is SIANRGUIFQEDKA-YYFHNNNUSA-N. The full InChI is InChI=1S/C9H12N4.C6H12.C3H8.C2H6/c1-3-7(6(2)10)8-4-5-12-9(11)13-8;1-2-4-6-5-3-1;1-3-2;1-2/h3-5H,1,10H2,2H3,(H2,11,12,13);1-6H2;3H2,1-2H3;1-2H3/b7-6-;;;.
What are the key properties of 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane?
4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane has a molecular weight of 334.55 g/mol, XLogP of 5.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane is sourced from PubChem (CID 143574839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).