4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

C20H22N6 — CID 95837499

IUPAC4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1ccc(CCN2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C20H22N6/c1-2-6-16(7-3-1)10-15-26-14-4-8-18(26)17-9-13-23-20(24-17)25-19-21-11-5-12-22-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2,(H,21,22,23,24,25)/t18-/m1/s1
InChIKeyAZFFQPOJIKCAHX-GOSISDBHSA-N
MW346.44 g/mol
LogP3.39
Rot. Bonds6

About 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 95837499) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
PubChem CID95837499
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1ccc(CCN2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C20H22N6/c1-2-6-16(7-3-1)10-15-26-14-4-8-18(26)17-9-13-23-20(24-17)25-19-21-11-5-12-22-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2,(H,21,22,23,24,25)/t18-/m1/s1
InChIKeyAZFFQPOJIKCAHX-GOSISDBHSA-N
XLogP3.39
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 110267405
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
3-phenyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125017259
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836178
N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265076
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 95837498
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (CID 95837499) is 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is c1ccc(CCN2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1.
What is the InChIKey of 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The InChIKey is AZFFQPOJIKCAHX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-6-16(7-3-1)10-15-26-14-4-8-18(26)17-9-13-23-20(24-17)25-19-21-11-5-12-22-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2,(H,21,22,23,24,25)/t18-/m1/s1.
What are the key properties of 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95837499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).