N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine

C8H13N3 — CID 126694644

IUPACN-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESC=CNC1=NC(C)C=C(C)N1
InChIInChI=1S/C8H13N3/c1-4-9-8-10-6(2)5-7(3)11-8/h4-6H,1H2,2-3H3,(H2,9,10,11)
InChIKeyONWIDWZGVXNYMZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.97
Rot. Bonds1

About N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine

N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine (PubChem CID 126694644) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
PubChem CID126694644
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
SMILESC=CNC1=NC(C)C=C(C)N1
InChIInChI=1S/C8H13N3/c1-4-9-8-10-6(2)5-7(3)11-8/h4-6H,1H2,2-3H3,(H2,9,10,11)
InChIKeyONWIDWZGVXNYMZ-UHFFFAOYSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine (CID 126694644) is N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine is C=CNC1=NC(C)C=C(C)N1.
What is the InChIKey of N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
The InChIKey is ONWIDWZGVXNYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-9-8-10-6(2)5-7(3)11-8/h4-6H,1H2,2-3H3,(H2,9,10,11).
What are the key properties of N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine?
N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine has a molecular weight of 151.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 126694644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).