5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H23N5O4 — CID 66958893

IUPAC5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(O)CO)c2c1=O
InChIInChI=1S/C19H23N5O4/c1-19(2,28)15-5-4-11(7-20-15)13-6-14-16(18(27)24(3)10-22-14)17(23-13)21-8-12(26)9-25/h4-7,10,12,25-26,28H,8-9H2,1-3H3,(H,21,23)
InChIKeyNUVHJVIVLZTGDF-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.38
Rot. Bonds6

About 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958893) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958893
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(O)CO)c2c1=O
InChIInChI=1S/C19H23N5O4/c1-19(2,28)15-5-4-11(7-20-15)13-6-14-16(18(27)24(3)10-22-14)17(23-13)21-8-12(26)9-25/h4-7,10,12,25-26,28H,8-9H2,1-3H3,(H,21,23)
InChIKeyNUVHJVIVLZTGDF-UHFFFAOYSA-N
XLogP0.38
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958893) is 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(O)CO)c2c1=O.
What is the InChIKey of 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NUVHJVIVLZTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-19(2,28)15-5-4-11(7-20-15)13-6-14-16(18(27)24(3)10-22-14)17(23-13)21-8-12(26)9-25/h4-7,10,12,25-26,28H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 385.42 g/mol, XLogP of 0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).