4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol

C21H22N4O — CID 137154175

IUPAC4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2N[C@@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H22N4O/c26-19-8-6-17(7-9-19)20-21(23-12-11-22-20)24-18-10-13-25(15-18)14-16-4-2-1-3-5-16/h1-9,11-12,18,26H,10,13-15H2,(H,23,24)/t18-/m1/s1
InChIKeyVUNNXZOAXZGICP-GOSISDBHSA-N
MW346.43 g/mol
LogP3.54
Rot. Bonds5

About 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol

4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol (PubChem CID 137154175) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
PubChem CID137154175
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2N[C@@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H22N4O/c26-19-8-6-17(7-9-19)20-21(23-12-11-22-20)24-18-10-13-25(15-18)14-16-4-2-1-3-5-16/h1-9,11-12,18,26H,10,13-15H2,(H,23,24)/t18-/m1/s1
InChIKeyVUNNXZOAXZGICP-GOSISDBHSA-N
XLogP3.54
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
CID 71199842
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921332
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91171302
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol?
The IUPAC name of 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol (CID 137154175) is 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol?
The canonical SMILES for 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol is Oc1ccc(-c2nccnc2N[C@@H]2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol?
The InChIKey is VUNNXZOAXZGICP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O/c26-19-8-6-17(7-9-19)20-21(23-12-11-22-20)24-18-10-13-25(15-18)14-16-4-2-1-3-5-16/h1-9,11-12,18,26H,10,13-15H2,(H,23,24)/t18-/m1/s1.
What are the key properties of 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol?
4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol has a molecular weight of 346.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 137154175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).