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

C19H23N5O3 — CID 66959256

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCCO)c2c1=O
InChIInChI=1S/C19H23N5O3/c1-19(2,27)15-6-5-12(10-21-15)13-9-14-16(18(26)24(3)11-22-14)17(23-13)20-7-4-8-25/h5-6,9-11,25,27H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyBJRJRGAKJUVZNX-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.41
Rot. Bonds6

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

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959256) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959256
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCCO)c2c1=O
InChIInChI=1S/C19H23N5O3/c1-19(2,27)15-6-5-12(10-21-15)13-9-14-16(18(26)24(3)11-22-14)17(23-13)20-7-4-8-25/h5-6,9-11,25,27H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyBJRJRGAKJUVZNX-UHFFFAOYSA-N
XLogP1.41
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959256) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCCO)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BJRJRGAKJUVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,27)15-6-5-12(10-21-15)13-9-14-16(18(26)24(3)11-22-14)17(23-13)20-7-4-8-25/h5-6,9-11,25,27H,4,7-8H2,1-3H3,(H,20,23).
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).