5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H25N5O3 — CID 66959374

IUPAC5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O
InChIInChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24)
InChIKeyHPWHLLAOUCSQLE-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.80
Rot. Bonds5

About 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959374) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959374
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O
InChIInChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24)
InChIKeyHPWHLLAOUCSQLE-UHFFFAOYSA-N
XLogP1.80
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959374) is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-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(NC(C)(C)CO)c2c1=O.
What is the InChIKey of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HPWHLLAOUCSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24).
What are the key properties of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).