N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

C17H22N4O3 — CID 25209991

IUPACN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1
InChIKeyHGXZPEGELGIADN-CYBMUJFWSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds5

About N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 25209991) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
PubChem CID25209991
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1
InChIKeyHGXZPEGELGIADN-CYBMUJFWSA-N
XLogP2.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
CID 24812771
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 24824324
[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
CID 67052176
2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24824458
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
CID 67052019
sodium 1-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]oxycyclopropane-1-carboxylate
CID 58134473
N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 59175689
4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 156789758
[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
CID 69283414

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (CID 25209991) is N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is HGXZPEGELGIADN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1.
What are the key properties of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).