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

C11H17N3 — CID 136635244

IUPACN-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/C2CC2)C=CN1C(C)C
InChIInChI=1S/C11H17N3/c1-8(2)14-7-6-11(12-9(14)3)13-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyWLWKBTXGSWTGSW-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.85
Rot. Bonds2

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

N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (PubChem CID 136635244) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.

Molecular Properties

Compound NameN-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
PubChem CID136635244
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/C2CC2)C=CN1C(C)C
InChIInChI=1S/C11H17N3/c1-8(2)14-7-6-11(12-9(14)3)13-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyWLWKBTXGSWTGSW-UHFFFAOYSA-N
XLogP1.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.85
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-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The IUPAC name of N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (CID 136635244) is N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.
What is the SMILES notation for N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The canonical SMILES for N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is C=C1N/C(=N/C2CC2)C=CN1C(C)C.
What is the InChIKey of N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The InChIKey is WLWKBTXGSWTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)14-7-6-11(12-9(14)3)13-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine has a molecular weight of 191.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is sourced from PubChem (CID 136635244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).