2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27FN6O2 — CID 145182039

IUPAC2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(C3=NCCC=N3)nc2CCN1c1cc(OCC2CCOCC2)cc(F)n1
InChIInChI=1S/C23H27FN6O2/c1-15-18-13-27-23(22-25-6-2-7-26-22)28-19(18)3-8-30(15)21-12-17(11-20(24)29-21)32-14-16-4-9-31-10-5-16/h6,11-13,15-16H,2-5,7-10,14H2,1H3
InChIKeyXOPLRDRHSLDLJR-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.16
Rot. Bonds5

About 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 145182039) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID145182039
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(C3=NCCC=N3)nc2CCN1c1cc(OCC2CCOCC2)cc(F)n1
InChIInChI=1S/C23H27FN6O2/c1-15-18-13-27-23(22-25-6-2-7-26-22)28-19(18)3-8-30(15)21-12-17(11-20(24)29-21)32-14-16-4-9-31-10-5-16/h6,11-13,15-16H,2-5,7-10,14H2,1H3
InChIKeyXOPLRDRHSLDLJR-UHFFFAOYSA-N
XLogP3.16
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 145182039) is 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(C3=NCCC=N3)nc2CCN1c1cc(OCC2CCOCC2)cc(F)n1.
What is the InChIKey of 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XOPLRDRHSLDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-15-18-13-27-23(22-25-6-2-7-26-22)28-19(18)3-8-30(15)21-12-17(11-20(24)29-21)32-14-16-4-9-31-10-5-16/h6,11-13,15-16H,2-5,7-10,14H2,1H3.
What are the key properties of 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 438.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 145182039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).