N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine

C10H17N3 — CID 135998249

IUPACN-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/CC)C=CN1C(C)C
InChIInChI=1S/C10H17N3/c1-5-11-10-6-7-13(8(2)3)9(4)12-10/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyNODMRRMPXJDOKE-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds2

About N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine

N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (PubChem CID 135998249) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
PubChem CID135998249
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/CC)C=CN1C(C)C
InChIInChI=1S/C10H17N3/c1-5-11-10-6-7-13(8(2)3)9(4)12-10/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyNODMRRMPXJDOKE-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The IUPAC name of N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (CID 135998249) is N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.
What is the SMILES notation for N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The canonical SMILES for N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is C=C1N/C(=N/CC)C=CN1C(C)C.
What is the InChIKey of N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The InChIKey is NODMRRMPXJDOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-11-10-6-7-13(8(2)3)9(4)12-10/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is sourced from PubChem (CID 135998249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).