N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine

C36H44N12O — CID 67709065

About N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine

N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine (PubChem CID 67709065) has the molecular formula C36H44N12O and a molecular weight of 660.83 g/mol. Its IUPAC name is N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine.

Molecular Properties

• Compound Name: N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine
• PubChem CID: 67709065
• Molecular Formula: C36H44N12O
• Molecular Weight: 660.83 g/mol
• Exact Mass: 660.38
• IUPAC Name: N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine
• SMILES: CC1CCN(c2nc(N3CCOCC3)c3ncnc(N(C)Cc4cccc5ccccc45)c3n2)CC1.CNC.c1ncc2ncncc2n1
• InChI: InChI=1S/C28H33N7O.C6H4N4.C2H7N/c1-20-10-12-35(13-11-20)28-31-25-24(27(32-28)34-14-16-36-17-15-34)29-19-30-26(25)33(2)18-22-8-5-7-21-6-3-4-9-23(21)22;1-5-6(10-3-7-1)2-8-4-9-5;1-3-2/h3-9,19-20H,10-18H2,1-2H3;1-4H;3H,1-2H3
• InChIKey: JDLWCMGHTVQGRT-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 134.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.83
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine?

The IUPAC name of N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine (CID 67709065) is N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine.

What is the SMILES notation for N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine?

The canonical SMILES for N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine is CC1CCN(c2nc(N3CCOCC3)c3ncnc(N(C)Cc4cccc5ccccc45)c3n2)CC1.CNC.c1ncc2ncncc2n1.

What is the InChIKey of N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine?

The InChIKey is JDLWCMGHTVQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O.C6H4N4.C2H7N/c1-20-10-12-35(13-11-20)28-31-25-24(27(32-28)34-14-16-36-17-15-34)29-19-30-26(25)33(2)18-22-8-5-7-21-6-3-4-9-23(21)22;1-5-6(10-3-7-1)2-8-4-9-5;1-3-2/h3-9,19-20H,10-18H2,1-2H3;1-4H;3H,1-2H3.

What are the key properties of N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine?

N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine has a molecular weight of 660.83 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylmethanamine;N-methyl-2-(4-methylpiperidin-1-yl)-4-morpholin-4-yl-N-(naphthalen-1-ylmethyl)pyrimido[5,4-d]pyrimidin-8-amine;pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 67709065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).