4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol

C19H20N6O — CID 95837810

IUPAC4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1
InChIInChI=1S/C19H20N6O/c26-15-5-3-14(4-6-15)13-25-11-1-2-17(25)16-7-8-22-19(23-16)24-18-12-20-9-10-21-18/h3-10,12,17,26H,1-2,11,13H2,(H,21,22,23,24)/t17-/m0/s1
InChIKeyDMWLZFGOBCPFMI-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.05
Rot. Bonds5

About 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol

4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 95837810) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
PubChem CID95837810
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1
InChIInChI=1S/C19H20N6O/c26-15-5-3-14(4-6-15)13-25-11-1-2-17(25)16-7-8-22-19(23-16)24-18-12-20-9-10-21-18/h3-10,12,17,26H,1-2,11,13H2,(H,21,22,23,24)/t17-/m0/s1
InChIKeyDMWLZFGOBCPFMI-KRWDZBQOSA-N
XLogP3.05
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 110267405
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
4-phenyl-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838014
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 110267234
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842808
N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837562

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol (CID 95837810) is 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol is Oc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1.
What is the InChIKey of 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is DMWLZFGOBCPFMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N6O/c26-15-5-3-14(4-6-15)13-25-11-1-2-17(25)16-7-8-22-19(23-16)24-18-12-20-9-10-21-18/h3-10,12,17,26H,1-2,11,13H2,(H,21,22,23,24)/t17-/m0/s1.
What are the key properties of 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol?
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 348.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 95837810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).