4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine

C9H13N3 — CID 25419798

IUPAC4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1C
InChIInChI=1S/C9H13N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4H,1,5H2,2-3H3,(H2,10,11,12)
InChIKeyGBNBVYOYVUALOC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.40
Rot. Bonds2

About 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine

4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine (PubChem CID 25419798) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine
PubChem CID25419798
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1C
InChIInChI=1S/C9H13N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4H,1,5H2,2-3H3,(H2,10,11,12)
InChIKeyGBNBVYOYVUALOC-UHFFFAOYSA-N
XLogP1.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
4,5,6-Trimethylpyrimidin-2-amine
CID 12250862
(4,6-Dimethylpyrimidin-2-yl)cyanamide
CID 521618
4-Ethyl-6-methylpyrimidin-2-amine
CID 819560
2-Chloro-4,5,6-trimethylpyrimidine
CID 12501987
5-Iodo-4,6-dimethylpyrimidin-2-amine
CID 619288
4,5,6-Trimethylpyrimidine
CID 18736669
4-Methyl-6-pent-1-ynylpyrimidin-2-amine
CID 135260385
5-Ethyl-4,6-dimethylpyrimidine
CID 18735156
2-Chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine
CID 73994643
4,6-Diethylpyrimidin-2-amine
CID 22104158

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine (CID 25419798) is 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine is C=CCc1c(C)nc(N)nc1C.
What is the InChIKey of 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine?
The InChIKey is GBNBVYOYVUALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4H,1,5H2,2-3H3,(H2,10,11,12).
What are the key properties of 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine?
4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 25419798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).