N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine

C12H17N3 — CID 134560867

IUPACN-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine
SMILESCC1=NC(NC2=CCCC=C2)=NC(C)C1
InChIInChI=1S/C12H17N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyZDFSLDXRDKNYBO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.42
Rot. Bonds1

About N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine

N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine (PubChem CID 134560867) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine
PubChem CID134560867
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine
SMILESCC1=NC(NC2=CCCC=C2)=NC(C)C1
InChIInChI=1S/C12H17N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyZDFSLDXRDKNYBO-UHFFFAOYSA-N
XLogP2.42
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine (CID 134560867) is N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine is CC1=NC(NC2=CCCC=C2)=NC(C)C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The InChIKey is ZDFSLDXRDKNYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine?
N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 134560867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).