N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C14H22N4O — CID 155974234

IUPACN-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccnc(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O/c1-10(2)14-15-7-5-13(16-14)18-8-6-12(9-18)17(4)11(3)19/h5,7,10,12H,6,8-9H2,1-4H3
InChIKeyZHGIDJWMYPSECY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 155974234) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID155974234
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccnc(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O/c1-10(2)14-15-7-5-13(16-14)18-8-6-12(9-18)17(4)11(3)19/h5,7,10,12H,6,8-9H2,1-4H3
InChIKeyZHGIDJWMYPSECY-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
CID 155513612
1-Methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2840576
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
tert-butyl (3R)-3-[(2-aminopyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 49857009
2-(4-Pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 1439360
2-methyl-N-(2-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}ethyl)propanamide
CID 45497025

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 155974234) is N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N(C)C1CCN(c2ccnc(C(C)C)n2)C1.
What is the InChIKey of N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is ZHGIDJWMYPSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)14-15-7-5-13(16-14)18-8-6-12(9-18)17(4)11(3)19/h5,7,10,12H,6,8-9H2,1-4H3.
What are the key properties of N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 155974234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).