N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide

C11H18N4 — CID 66798322

IUPACN,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide
SMILESC=C1N=C(/N=C/N(C)C)C=CN1C(C)C
InChIInChI=1S/C11H18N4/c1-9(2)15-7-6-11(13-10(15)3)12-8-14(4)5/h6-9H,3H2,1-2,4-5H3/b12-8+
InChIKeyGEVKIONSQWPWDP-XYOKQWHBSA-N
MW206.29 g/mol
LogP1.68
Rot. Bonds2

About N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide

N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide (PubChem CID 66798322) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide
PubChem CID66798322
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide
SMILESC=C1N=C(/N=C/N(C)C)C=CN1C(C)C
InChIInChI=1S/C11H18N4/c1-9(2)15-7-6-11(13-10(15)3)12-8-14(4)5/h6-9H,3H2,1-2,4-5H3/b12-8+
InChIKeyGEVKIONSQWPWDP-XYOKQWHBSA-N
XLogP1.68
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide (CID 66798322) is N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide is C=C1N=C(/N=C/N(C)C)C=CN1C(C)C.
What is the InChIKey of N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide?
The InChIKey is GEVKIONSQWPWDP-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)15-7-6-11(13-10(15)3)12-8-14(4)5/h6-9H,3H2,1-2,4-5H3/b12-8+.
What are the key properties of N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide?
N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide has a molecular weight of 206.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylidene-1-propan-2-ylpyrimidin-4-yl)methanimidamide is sourced from PubChem (CID 66798322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).