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

C20H23N5O2 — CID 58093049

IUPAC5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC3CC3)c2c1=O
InChIInChI=1S/C20H23N5O2/c1-20(2,27)16-7-6-13(10-21-16)14-8-15-17(19(26)25(3)11-23-15)18(24-14)22-9-12-4-5-12/h6-8,10-12,27H,4-5,9H2,1-3H3,(H,22,24)
InChIKeyMAHUISQXGOVGAI-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.44
Rot. Bonds5

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

5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 58093049) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID58093049
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC3CC3)c2c1=O
InChIInChI=1S/C20H23N5O2/c1-20(2,27)16-7-6-13(10-21-16)14-8-15-17(19(26)25(3)11-23-15)18(24-14)22-9-12-4-5-12/h6-8,10-12,27H,4-5,9H2,1-3H3,(H,22,24)
InChIKeyMAHUISQXGOVGAI-UHFFFAOYSA-N
XLogP2.44
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 58093049) is 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-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(NCC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MAHUISQXGOVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,27)16-7-6-13(10-21-16)14-8-15-17(19(26)25(3)11-23-15)18(24-14)22-9-12-4-5-12/h6-8,10-12,27H,4-5,9H2,1-3H3,(H,22,24).
What are the key properties of 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58093049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).