4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C18H20F2N4O — CID 46346036

IUPAC4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1F
InChIInChI=1S/C18H20F2N4O/c19-15-2-1-13(9-16(15)20)11-23-4-3-17-14(12-23)10-21-18(22-17)24-5-7-25-8-6-24/h1-2,9-10H,3-8,11-12H2
InChIKeyHHCVCUILVOVNGD-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.15
Rot. Bonds3

About 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46346036) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46346036
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1F
InChIInChI=1S/C18H20F2N4O/c19-15-2-1-13(9-16(15)20)11-23-4-3-17-14(12-23)10-21-18(22-17)24-5-7-25-8-6-24/h1-2,9-10H,3-8,11-12H2
InChIKeyHHCVCUILVOVNGD-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46346036) is 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1F.
What is the InChIKey of 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is HHCVCUILVOVNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c19-15-2-1-13(9-16(15)20)11-23-4-3-17-14(12-23)10-21-18(22-17)24-5-7-25-8-6-24/h1-2,9-10H,3-8,11-12H2.
What are the key properties of 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 346.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).