(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide

C16H26N4O2 — CID 99838832

IUPAC(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
SMILESCCC[C@@]1(COC)CCCN1C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C16H26N4O2/c1-4-7-16(12-22-3)8-5-10-20(16)15(21)18-11-14-6-9-17-13(2)19-14/h6,9H,4-5,7-8,10-12H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyFTGXZXQQJKPFBM-INIZCTEOSA-N
MW306.41 g/mol
LogP2.28
Rot. Bonds6

About (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide

(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide (PubChem CID 99838832) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
PubChem CID99838832
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
SMILESCCC[C@@]1(COC)CCCN1C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C16H26N4O2/c1-4-7-16(12-22-3)8-5-10-20(16)15(21)18-11-14-6-9-17-13(2)19-14/h6,9H,4-5,7-8,10-12H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyFTGXZXQQJKPFBM-INIZCTEOSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99841748
6-[(2R)-2-(methoxymethyl)-2-propylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 129470689
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide
CID 164639811
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837210
furan-3-yl-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837225
(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 99842418
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 64678565
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 51099905
2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 83072125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide (CID 99838832) is (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide is CCC[C@@]1(COC)CCCN1C(=O)NCc1ccnc(C)n1.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide?
The InChIKey is FTGXZXQQJKPFBM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-7-16(12-22-3)8-5-10-20(16)15(21)18-11-14-6-9-17-13(2)19-14/h6,9H,4-5,7-8,10-12H2,1-3H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide?
(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 99838832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).