2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C20H21FN6O3 — CID 175657255

IUPAC2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2nc(C)cc(Oc3ccccc3F)n2)n1
InChIInChI=1S/C20H21FN6O3/c1-12-11-16(30-15-9-5-4-7-13(15)21)23-17(22-12)14-8-6-10-27(14)18-24-19(28-2)26-20(25-18)29-3/h4-5,7,9,11,14H,6,8,10H2,1-3H3
InChIKeyCIAGYJHBKNPXPW-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.26
Rot. Bonds6

About 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 175657255) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID175657255
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC Name2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2nc(C)cc(Oc3ccccc3F)n2)n1
InChIInChI=1S/C20H21FN6O3/c1-12-11-16(30-15-9-5-4-7-13(15)21)23-17(22-12)14-8-6-10-27(14)18-24-19(28-2)26-20(25-18)29-3/h4-5,7,9,11,14H,6,8,10H2,1-3H3
InChIKeyCIAGYJHBKNPXPW-UHFFFAOYSA-N
XLogP3.26
TPSA95.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95844319
4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844012
(6-amino-3-pyridinyl)-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 175657255) is 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCCC2c2nc(C)cc(Oc3ccccc3F)n2)n1.
What is the InChIKey of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is CIAGYJHBKNPXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-12-11-16(30-15-9-5-4-7-13(15)21)23-17(22-12)14-8-6-10-27(14)18-24-19(28-2)26-20(25-18)29-3/h4-5,7,9,11,14H,6,8,10H2,1-3H3.
What are the key properties of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 412.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 175657255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).