5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one

C22H29N5O3 — CID 66959478

IUPAC5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2
InChIInChI=1S/C22H29N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,15,23H,8-11,13-14H2,1-3H3,(H,24,25)
InChIKeyBKGHHGOBOXVDFE-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.49
Rot. Bonds6

About 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one

5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959478) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one
PubChem CID66959478
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2
InChIInChI=1S/C22H29N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,15,23H,8-11,13-14H2,1-3H3,(H,24,25)
InChIKeyBKGHHGOBOXVDFE-UHFFFAOYSA-N
XLogP2.49
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one (CID 66959478) is 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one is COCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2.
What is the InChIKey of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BKGHHGOBOXVDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,15,23H,8-11,13-14H2,1-3H3,(H,24,25).
What are the key properties of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one?
5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 411.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)-1,2-dihydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).