5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione

C17H27N5O2 — CID 158501852

IUPAC5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione
SMILESC=C1N=C(N)C(C)=CN1C(C)C.Cc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3.C8H12N2O2/c1-6(2)12-5-7(3)9(10)11-8(12)4;1-5(2)10-4-6(3)7(11)9-8(10)12/h5-6H,4H2,1-3H3,(H2,10,11);4-5H,1-3H3,(H,9,11,12)
InChIKeyHJZIVKQIVWBMHE-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione

5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 158501852) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID158501852
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione
SMILESC=C1N=C(N)C(C)=CN1C(C)C.Cc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3.C8H12N2O2/c1-6(2)12-5-7(3)9(10)11-8(12)4;1-5(2)10-4-6(3)7(11)9-8(10)12/h5-6H,4H2,1-3H3,(H2,10,11);4-5H,1-3H3,(H,9,11,12)
InChIKeyHJZIVKQIVWBMHE-UHFFFAOYSA-N
XLogP1.87
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione (CID 158501852) is 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione is C=C1N=C(N)C(C)=CN1C(C)C.Cc1cn(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is HJZIVKQIVWBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C8H12N2O2/c1-6(2)12-5-7(3)9(10)11-8(12)4;1-5(2)10-4-6(3)7(11)9-8(10)12/h5-6H,4H2,1-3H3,(H2,10,11);4-5H,1-3H3,(H,9,11,12).
What are the key properties of 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione?
5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 158501852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).