3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine

C19H20F3N5O — CID 135242342

IUPAC3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCC1COCCN1C1N=Cc2cccnc2N1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C19H20F3N5O/c1-13-12-28-9-8-26(13)18-25-10-14-4-2-7-24-17(14)27(18)11-15-5-3-6-23-16(15)19(20,21)22/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeySWOXFTCBYIQYLX-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.94
Rot. Bonds3

About 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine

3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 135242342) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID135242342
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCC1COCCN1C1N=Cc2cccnc2N1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C19H20F3N5O/c1-13-12-28-9-8-26(13)18-25-10-14-4-2-7-24-17(14)27(18)11-15-5-3-6-23-16(15)19(20,21)22/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeySWOXFTCBYIQYLX-UHFFFAOYSA-N
XLogP2.94
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 135242342) is 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine is CC1COCCN1C1N=Cc2cccnc2N1Cc1cccnc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is SWOXFTCBYIQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-13-12-28-9-8-26(13)18-25-10-14-4-2-7-24-17(14)27(18)11-15-5-3-6-23-16(15)19(20,21)22/h2-7,10,13,18H,8-9,11-12H2,1H3.
What are the key properties of 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine?
3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 391.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-2H-pyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 135242342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).