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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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).