N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide

C20H28N4O — CID 133409237

IUPACN-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(Nc2cc(C(C)C)nc(C(C)C)n2)c1
InChIInChI=1S/C20H28N4O/c1-13(2)18-11-19(23-20(22-18)14(3)4)21-17-9-7-8-16(10-17)12-24(6)15(5)25/h7-11,13-14H,12H2,1-6H3,(H,21,22,23)
InChIKeyMHCJAIUIMQIDFN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.45
Rot. Bonds6

About N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide

N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide (PubChem CID 133409237) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide
PubChem CID133409237
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(Nc2cc(C(C)C)nc(C(C)C)n2)c1
InChIInChI=1S/C20H28N4O/c1-13(2)18-11-19(23-20(22-18)14(3)4)21-17-9-7-8-16(10-17)12-24(6)15(5)25/h7-11,13-14H,12H2,1-6H3,(H,21,22,23)
InChIKeyMHCJAIUIMQIDFN-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38584131
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide (CID 133409237) is N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(Nc2cc(C(C)C)nc(C(C)C)n2)c1.
What is the InChIKey of N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is MHCJAIUIMQIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13(2)18-11-19(23-20(22-18)14(3)4)21-17-9-7-8-16(10-17)12-24(6)15(5)25/h7-11,13-14H,12H2,1-6H3,(H,21,22,23).
What are the key properties of N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide?
N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 340.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 133409237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).