2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide

C13H21N5O — CID 137341679

IUPAC2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCCc1cnc(N)nc1N1CCC(CC(=O)NC)C1
InChIInChI=1S/C13H21N5O/c1-3-10-7-16-13(14)17-12(10)18-5-4-9(8-18)6-11(19)15-2/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyCNMSARZWTZWUQB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.58
Rot. Bonds4

About 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide

2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 137341679) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID137341679
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCCc1cnc(N)nc1N1CCC(CC(=O)NC)C1
InChIInChI=1S/C13H21N5O/c1-3-10-7-16-13(14)17-12(10)18-5-4-9(8-18)6-11(19)15-2/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyCNMSARZWTZWUQB-UHFFFAOYSA-N
XLogP0.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
CID 72883353
1-(2-amino-5-ethylpyrimidin-4-yl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 137343270
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192131
5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide (CID 137341679) is 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide is CCc1cnc(N)nc1N1CCC(CC(=O)NC)C1.
What is the InChIKey of 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is CNMSARZWTZWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10-7-16-13(14)17-12(10)18-5-4-9(8-18)6-11(19)15-2/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 137341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).