5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine

C19H27N7O — CID 59239620

About 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 59239620) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
• PubChem CID: 59239620
• Molecular Formula: C19H27N7O
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.23
• IUPAC Name: 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
• SMILES: CC(C)N1CCc2c(nc(-c3cnc(N)nc3)nc2N2CCOC[C@@H]2C)C1
• InChI: InChI=1S/C19H27N7O/c1-12(2)25-5-4-15-16(10-25)23-17(14-8-21-19(20)22-9-14)24-18(15)26-6-7-27-11-13(26)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,20,21,22)/t13-/m0/s1
• InChIKey: BEXAKUWVGIIQKQ-ZDUSSCGKSA-N
• XLogP: 1.51
• TPSA: 93.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 59239620) is 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine is CC(C)N1CCc2c(nc(-c3cnc(N)nc3)nc2N2CCOC[C@@H]2C)C1.

What is the InChIKey of 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine?

The InChIKey is BEXAKUWVGIIQKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12(2)25-5-4-15-16(10-25)23-17(14-8-21-19(20)22-9-14)24-18(15)26-6-7-27-11-13(26)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,20,21,22)/t13-/m0/s1.

What are the key properties of 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine?

5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).