2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C26H30FN7O2 — CID 46216383

IUPAC2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1-c1cncnc1)C2
InChIInChI=1S/C26H30FN7O2/c1-16-23-21(32-25(28)31-16)11-22(19-5-4-18(27)10-20(19)17-12-29-15-30-13-17)34(24(23)35)14-26(2,3)33-6-8-36-9-7-33/h4-5,10,12-13,15,22H,6-9,11,14H2,1-3H3,(H2,28,31,32)
InChIKeyDVMJXLNSOIVORZ-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 46216383) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID46216383
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1-c1cncnc1)C2
InChIInChI=1S/C26H30FN7O2/c1-16-23-21(32-25(28)31-16)11-22(19-5-4-18(27)10-20(19)17-12-29-15-30-13-17)34(24(23)35)14-26(2,3)33-6-8-36-9-7-33/h4-5,10,12-13,15,22H,6-9,11,14H2,1-3H3,(H2,28,31,32)
InChIKeyDVMJXLNSOIVORZ-UHFFFAOYSA-N
XLogP2.81
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 46216383) is 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)N(CC(C)(C)N1CCOCC1)C(c1ccc(F)cc1-c1cncnc1)C2.
What is the InChIKey of 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DVMJXLNSOIVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-16-23-21(32-25(28)31-16)11-22(19-5-4-18(27)10-20(19)17-12-29-15-30-13-17)34(24(23)35)14-26(2,3)33-6-8-36-9-7-33/h4-5,10,12-13,15,22H,6-9,11,14H2,1-3H3,(H2,28,31,32).
What are the key properties of 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 491.57 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 46216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).