(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine

C17H22N4 — CID 125420656

IUPAC(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESC[C@@H]1[C@H](N(C)C)CCN1c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-15(20(2)3)10-12-21(13)16-9-11-18-17(19-16)14-7-5-4-6-8-14/h4-9,11,13,15H,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyFGPGWZMCQZVRNQ-UKRRQHHQSA-N
MW282.39 g/mol
LogP2.67
Rot. Bonds3

About (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine

(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 125420656) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID125420656
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESC[C@@H]1[C@H](N(C)C)CCN1c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-15(20(2)3)10-12-21(13)16-9-11-18-17(19-16)14-7-5-4-6-8-14/h4-9,11,13,15H,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyFGPGWZMCQZVRNQ-UKRRQHHQSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine (CID 125420656) is (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine is C[C@@H]1[C@H](N(C)C)CCN1c1ccnc(-c2ccccc2)n1.
What is the InChIKey of (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is FGPGWZMCQZVRNQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-15(20(2)3)10-12-21(13)16-9-11-18-17(19-16)14-7-5-4-6-8-14/h4-9,11,13,15H,10,12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine?
(2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N,2-trimethyl-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 125420656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).