N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide

C20H26N4O2 — CID 156611463

IUPACN-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
SMILESCOCC1CN(c2ccncn2)CC1C(=O)NCc1cc(C)ccc1C
InChIInChI=1S/C20H26N4O2/c1-14-4-5-15(2)16(8-14)9-22-20(25)18-11-24(10-17(18)12-26-3)19-6-7-21-13-23-19/h4-8,13,17-18H,9-12H2,1-3H3,(H,22,25)
InChIKeySNQMLDKSFDPAJL-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.11
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide

N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide (PubChem CID 156611463) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
PubChem CID156611463
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
SMILESCOCC1CN(c2ccncn2)CC1C(=O)NCc1cc(C)ccc1C
InChIInChI=1S/C20H26N4O2/c1-14-4-5-15(2)16(8-14)9-22-20(25)18-11-24(10-17(18)12-26-3)19-6-7-21-13-23-19/h4-8,13,17-18H,9-12H2,1-3H3,(H,22,25)
InChIKeySNQMLDKSFDPAJL-UHFFFAOYSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide (CID 156611463) is N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide is COCC1CN(c2ccncn2)CC1C(=O)NCc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is SNQMLDKSFDPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-4-5-15(2)16(8-14)9-22-20(25)18-11-24(10-17(18)12-26-3)19-6-7-21-13-23-19/h4-8,13,17-18H,9-12H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-1-pyrimidin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156611463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).