1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C20H28N6O — CID 95557334

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

1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 95557334) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 95557334
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC[C@H](CN(C)C)Nc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2
• InChI: InChI=1S/C20H28N6O/c1-5-16(12-25(3)4)22-20-17-8-10-26(14(2)27)13-18(17)23-19(24-20)15-7-6-9-21-11-15/h6-7,9,11,16H,5,8,10,12-13H2,1-4H3,(H,22,23,24)/t16-/m1/s1
• InChIKey: SAANHWWYTBGZJT-MRXNPFEDSA-N
• XLogP: 2.20
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 95557334) is 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

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

The canonical SMILES for 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC[C@H](CN(C)C)Nc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2.

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

The InChIKey is SAANHWWYTBGZJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N6O/c1-5-16(12-25(3)4)22-20-17-8-10-26(14(2)27)13-18(17)23-19(24-20)15-7-6-9-21-11-15/h6-7,9,11,16H,5,8,10,12-13H2,1-4H3,(H,22,23,24)/t16-/m1/s1.

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

1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 368.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 95557334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).