N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine

C16H21N5O2S — CID 24917716

About N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine

N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine (PubChem CID 24917716) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
• PubChem CID: 24917716
• Molecular Formula: C16H21N5O2S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.14
• IUPAC Name: N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
• SMILES: CN(C)c1ccc(CN2CCc3nc(S(C)(=O)=O)ncc3C2)cn1
• InChI: InChI=1S/C16H21N5O2S/c1-20(2)15-5-4-12(8-17-15)10-21-7-6-14-13(11-21)9-18-16(19-14)24(3,22)23/h4-5,8-9H,6-7,10-11H2,1-3H3
• InChIKey: GTMPRIFGBZKABN-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 79.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine?

The IUPAC name of N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine (CID 24917716) is N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine.

What is the SMILES notation for N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine?

The canonical SMILES for N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine is CN(C)c1ccc(CN2CCc3nc(S(C)(=O)=O)ncc3C2)cn1.

What is the InChIKey of N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine?

The InChIKey is GTMPRIFGBZKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20(2)15-5-4-12(8-17-15)10-21-7-6-14-13(11-21)9-18-16(19-14)24(3,22)23/h4-5,8-9H,6-7,10-11H2,1-3H3.

What are the key properties of N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine?

N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 24917716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).