N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine

C10H15N3 — CID 172607028

IUPACN-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine
SMILESC=NN1C=C(C(C)C)C=N/C1=C/C
InChIInChI=1S/C10H15N3/c1-5-10-12-6-9(8(2)3)7-13(10)11-4/h5-8H,4H2,1-3H3/b10-5-
InChIKeyYKZAWYIUCIVPNL-YHYXMXQVSA-N
MW177.25 g/mol
LogP2.39
Rot. Bonds2

About N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine

N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine (PubChem CID 172607028) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine
PubChem CID172607028
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine
SMILESC=NN1C=C(C(C)C)C=N/C1=C/C
InChIInChI=1S/C10H15N3/c1-5-10-12-6-9(8(2)3)7-13(10)11-4/h5-8H,4H2,1-3H3/b10-5-
InChIKeyYKZAWYIUCIVPNL-YHYXMXQVSA-N
XLogP2.39
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine?
The IUPAC name of N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine (CID 172607028) is N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine.
What is the SMILES notation for N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine?
The canonical SMILES for N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine is C=NN1C=C(C(C)C)C=N/C1=C/C.
What is the InChIKey of N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine?
The InChIKey is YKZAWYIUCIVPNL-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-10-12-6-9(8(2)3)7-13(10)11-4/h5-8H,4H2,1-3H3/b10-5-.
What are the key properties of N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine?
N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine has a molecular weight of 177.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine is sourced from PubChem (CID 172607028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).