4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine

C12H14N4 — CID 142946332

IUPAC4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine
SMILESC=C/C=C(\N)c1ccnc(NC(=C)C=C)n1
InChIInChI=1S/C12H14N4/c1-4-6-10(13)11-7-8-14-12(16-11)15-9(3)5-2/h4-8H,1-3,13H2,(H,14,15,16)/b10-6-
InChIKeyFZWQMTLHNQDAHG-POHAHGRESA-N
MW214.27 g/mol
LogP2.07
Rot. Bonds5

About 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine

4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine (PubChem CID 142946332) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine
PubChem CID142946332
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine
SMILESC=C/C=C(\N)c1ccnc(NC(=C)C=C)n1
InChIInChI=1S/C12H14N4/c1-4-6-10(13)11-7-8-14-12(16-11)15-9(3)5-2/h4-8H,1-3,13H2,(H,14,15,16)/b10-6-
InChIKeyFZWQMTLHNQDAHG-POHAHGRESA-N
XLogP2.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylpyrimidin-2-amine
CID 174359338
1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
CID 139390411
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911
4-[(3Z,6Z)-3-(aminomethyl)-7-(methylideneamino)hepta-1,3,6-trien-2-yl]-N-prop-2-enylpyrimidin-2-amine;(2E)-N,N-dimethylpenta-2,4-dien-2-amine
CID 143225799
ethane;2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidine
CID 153344116
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine
CID 134350526
2-(4-fluoroanilino)pyrimidine-4-carbothioamide
CID 107546384
methyl (Z)-2-(2-acetamidopyrimidin-4-yl)-3-hydroxybut-2-enoate
CID 135445347
4-[(3Z)-4-aminopenta-1,3-dien-3-yl]pyrimidin-2-amine;cyclohexane;ethane;propane
CID 143574839
N-(3-chloro-4-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296032

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine (CID 142946332) is 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine is C=C/C=C(\N)c1ccnc(NC(=C)C=C)n1.
What is the InChIKey of 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine?
The InChIKey is FZWQMTLHNQDAHG-POHAHGRESA-N. The full InChI is InChI=1S/C12H14N4/c1-4-6-10(13)11-7-8-14-12(16-11)15-9(3)5-2/h4-8H,1-3,13H2,(H,14,15,16)/b10-6-.
What are the key properties of 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine?
4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1-aminobuta-1,3-dienyl]-N-buta-1,3-dien-2-ylpyrimidin-2-amine is sourced from PubChem (CID 142946332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).