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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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).