N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C17H22N4O — CID 166303846

IUPACN,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCC[C@@H]2COc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-20(2)17-18-11-10-16(19-17)21-12-6-7-14(21)13-22-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyHFAZNRWFYISWCP-CQSZACIVSA-N
MW298.39 g/mol
LogP2.59
Rot. Bonds5

About N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 166303846) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID166303846
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCC[C@@H]2COc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-20(2)17-18-11-10-16(19-17)21-12-6-7-14(21)13-22-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyHFAZNRWFYISWCP-CQSZACIVSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64831296
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
2-methyl-7-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166303847
2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166260444
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
2,5-dimethyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166251605
3-ethyl-6-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166235494
8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 136582369
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 166303846) is N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is CN(C)c1nccc(N2CCC[C@@H]2COc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is HFAZNRWFYISWCP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)17-18-11-10-16(19-17)21-12-6-7-14(21)13-22-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 166303846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).