N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine

C11H20N4 — CID 137261963

IUPACN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine
SMILESC=CC/N=C1\NC(N(C)C)=CC(C)(C)N1
InChIInChI=1S/C11H20N4/c1-6-7-12-10-13-9(15(4)5)8-11(2,3)14-10/h6,8H,1,7H2,2-5H3,(H2,12,13,14)
InChIKeyMMWZJRTTYOZBRL-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds3

About N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine

N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine (PubChem CID 137261963) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine
PubChem CID137261963
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine
SMILESC=CC/N=C1\NC(N(C)C)=CC(C)(C)N1
InChIInChI=1S/C11H20N4/c1-6-7-12-10-13-9(15(4)5)8-11(2,3)14-10/h6,8H,1,7H2,2-5H3,(H2,12,13,14)
InChIKeyMMWZJRTTYOZBRL-UHFFFAOYSA-N
XLogP0.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine?
The IUPAC name of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine (CID 137261963) is N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine.
What is the SMILES notation for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine?
The canonical SMILES for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine is C=CC/N=C1\NC(N(C)C)=CC(C)(C)N1.
What is the InChIKey of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine?
The InChIKey is MMWZJRTTYOZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-6-7-12-10-13-9(15(4)5)8-11(2,3)14-10/h6,8H,1,7H2,2-5H3,(H2,12,13,14).
What are the key properties of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine?
N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine has a molecular weight of 208.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine is sourced from PubChem (CID 137261963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).