N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine

C23H21FN6 — CID 58521779

IUPACN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESC[C@H](Cc1cc(Nc2ncccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN6/c1-16(17-3-5-18(24)6-4-17)11-19-12-21(30-23-27-7-2-8-28-23)13-20(29-19)14-22-15-25-9-10-26-22/h2-10,12-13,15-16H,11,14H2,1H3,(H,27,28,29,30)/t16-/m1/s1
InChIKeyAWOCSQXSLILJKS-MRXNPFEDSA-N
MW400.46 g/mol
LogP4.48
Rot. Bonds7

About N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine

N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine (PubChem CID 58521779) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
PubChem CID58521779
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESC[C@H](Cc1cc(Nc2ncccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN6/c1-16(17-3-5-18(24)6-4-17)11-19-12-21(30-23-27-7-2-8-28-23)13-20(29-19)14-22-15-25-9-10-26-22/h2-10,12-13,15-16H,11,14H2,1H3,(H,27,28,29,30)/t16-/m1/s1
InChIKeyAWOCSQXSLILJKS-MRXNPFEDSA-N
XLogP4.48
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
CID 58521649
1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
CID 162101229
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521764
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
CID 159656023
2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58521790
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521701
(3S,4S)-1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 58521641
N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 58521681
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
CID 58521771
2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 159266398
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
CID 58521805

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine (CID 58521779) is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine is C[C@H](Cc1cc(Nc2ncccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is AWOCSQXSLILJKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21FN6/c1-16(17-3-5-18(24)6-4-17)11-19-12-21(30-23-27-7-2-8-28-23)13-20(29-19)14-22-15-25-9-10-26-22/h2-10,12-13,15-16H,11,14H2,1H3,(H,27,28,29,30)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine?
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 58521779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).