N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide

C13H21N5O — CID 77097348

IUPACN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cnc(N(C)C)nc2)C1
InChIInChI=1S/C13H21N5O/c1-10(19)16-12-4-5-18(9-12)8-11-6-14-13(15-7-11)17(2)3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyOBENJBTWMHSJAV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.25
Rot. Bonds4

About N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide

N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 77097348) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID77097348
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cnc(N(C)C)nc2)C1
InChIInChI=1S/C13H21N5O/c1-10(19)16-12-4-5-18(9-12)8-11-6-14-13(15-7-11)17(2)3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyOBENJBTWMHSJAV-UHFFFAOYSA-N
XLogP0.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 99956372
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
N-[1-[[4-[5-(methylsulfonylmethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 170508722
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
CID 110249083
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide (CID 77097348) is N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(Cc2cnc(N(C)C)nc2)C1.
What is the InChIKey of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is OBENJBTWMHSJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(19)16-12-4-5-18(9-12)8-11-6-14-13(15-7-11)17(2)3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide?
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 77097348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).