N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine

C10H11N3 — CID 129174777

IUPACN-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)c1cncnc1
InChIInChI=1S/C10H11N3/c1-3-4-9(5-11-2)10-6-12-8-13-7-10/h3-8H,2H2,1H3/b4-3-,9-5+
InChIKeySMTATCAXIDQCTF-XBURUKCPSA-N
MW173.22 g/mol
LogP2.09
Rot. Bonds3

About N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine (PubChem CID 129174777) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
PubChem CID129174777
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)c1cncnc1
InChIInChI=1S/C10H11N3/c1-3-4-9(5-11-2)10-6-12-8-13-7-10/h3-8H,2H2,1H3/b4-3-,9-5+
InChIKeySMTATCAXIDQCTF-XBURUKCPSA-N
XLogP2.09
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Ethenylpyrimidine
CID 639849
Simpinicline
CID 11528435
2-Chloro-5-ethylpyrimidine
CID 3572763
2-[(2E,4E,6E)-7-[2-(dimethylamino)pyrimidin-5-yl]hepta-2,4,6-trienylidene]propanedinitrile
CID 168296445
5-Ethenylpyrimidin-2-amine
CID 13640878
2-Chloro-5-vinylpyrimidine
CID 45080172
5-Ethenyl-2-methoxypyrimidine
CID 14148917
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
5-Ethylpyrimidin-2-amine
CID 23131355
2-Chloro-5-(prop-1-en-2-yl)pyrimidine
CID 58485316
2-Bromo-5-ethylpyrimidine
CID 66520097
5-Ethenyl-1-methylpyrimidin-1-ium
CID 170916524

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine (CID 129174777) is N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)c1cncnc1.
What is the InChIKey of N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine?
The InChIKey is SMTATCAXIDQCTF-XBURUKCPSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-4-9(5-11-2)10-6-12-8-13-7-10/h3-8H,2H2,1H3/b4-3-,9-5+.
What are the key properties of N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine has a molecular weight of 173.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 129174777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).