(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one

C20H27N5O2 — CID 95486322

About (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one

(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one (PubChem CID 95486322) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one
• PubChem CID: 95486322
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one
• SMILES: CC(C)O[C@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
• InChI: InChI=1S/C20H27N5O2/c1-13(2)27-14(3)20(26)25-11-8-16-17(12-25)22-18(23-19(16)24(4)5)15-6-9-21-10-7-15/h6-7,9-10,13-14H,8,11-12H2,1-5H3/t14-/m1/s1
• InChIKey: BTYNFBKQSZLIPN-CQSZACIVSA-N
• XLogP: 2.30
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one?

The IUPAC name of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one (CID 95486322) is (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one.

What is the SMILES notation for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one?

The canonical SMILES for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one is CC(C)O[C@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1.

What is the InChIKey of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one?

The InChIKey is BTYNFBKQSZLIPN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)27-14(3)20(26)25-11-8-16-17(12-25)22-18(23-19(16)24(4)5)15-6-9-21-10-7-15/h6-7,9-10,13-14H,8,11-12H2,1-5H3/t14-/m1/s1.

What are the key properties of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one?

(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one has a molecular weight of 369.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one is sourced from PubChem (CID 95486322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).