[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C20H26N4O — CID 109362945

IUPAC[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-15(2)24(14-17-9-5-4-6-10-17)19-13-18(21-16(3)22-19)20(25)23-11-7-8-12-23/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3
InChIKeyYMFCRJMHZAADRG-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.44
Rot. Bonds5

About [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109362945) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109362945
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-15(2)24(14-17-9-5-4-6-10-17)19-13-18(21-16(3)22-19)20(25)23-11-7-8-12-23/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3
InChIKeyYMFCRJMHZAADRG-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846418
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
6-[benzyl(propan-2-yl)amino]-N-(3-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846435
[6-(diethylamino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363663
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109362945) is [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YMFCRJMHZAADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)24(14-17-9-5-4-6-10-17)19-13-18(21-16(3)22-19)20(25)23-11-7-8-12-23/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3.
What are the key properties of [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109362945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).