2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide

C20H36N6O2 — CID 71849240

IUPAC2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nc(C(C)C)cc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C20H36N6O2/c1-13(2)16-9-18(26(8)12-20(28)22-15(5)6)24-17(23-16)10-25(7)11-19(27)21-14(3)4/h9,13-15H,10-12H2,1-8H3,(H,21,27)(H,22,28)
InChIKeyHXEJOWMEYVFZGJ-UHFFFAOYSA-N
MW392.55 g/mol
LogP1.52
Rot. Bonds10

About 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide

2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 71849240) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID71849240
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC Name2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nc(C(C)C)cc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C20H36N6O2/c1-13(2)16-9-18(26(8)12-20(28)22-15(5)6)24-17(23-16)10-25(7)11-19(27)21-14(3)4/h9,13-15H,10-12H2,1-8H3,(H,21,27)(H,22,28)
InChIKeyHXEJOWMEYVFZGJ-UHFFFAOYSA-N
XLogP1.52
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide (CID 71849240) is 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1nc(C(C)C)cc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is HXEJOWMEYVFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O2/c1-13(2)16-9-18(26(8)12-20(28)22-15(5)6)24-17(23-16)10-25(7)11-19(27)21-14(3)4/h9,13-15H,10-12H2,1-8H3,(H,21,27)(H,22,28).
What are the key properties of 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 392.55 g/mol, XLogP of 1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71849240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).