N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine

C25H40ClN7O — CID 89359975

About N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine

N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 89359975) has the molecular formula C25H40ClN7O and a molecular weight of 490.10 g/mol. Its IUPAC name is N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine
• PubChem CID: 89359975
• Molecular Formula: C25H40ClN7O
• Molecular Weight: 490.10 g/mol
• Exact Mass: 489.30
• IUPAC Name: N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine
• SMILES: CCN(C)CCN(CC)CCCC1CN(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21
• InChI: InChI=1S/C25H40ClN7O/c1-7-31(5)12-13-32(8-2)11-9-10-19-15-33(24-21(19)23(26)29-25(27)30-24)16-20-18(4)22(34-6)17(3)14-28-20/h14,19H,7-13,15-16H2,1-6H3,(H2,27,29,30)
• InChIKey: CBFKAYNDBVJIFM-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.10
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine?

The IUPAC name of N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine (CID 89359975) is N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine.

What is the SMILES notation for N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine?

The canonical SMILES for N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine is CCN(C)CCN(CC)CCCC1CN(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.

What is the InChIKey of N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine?

The InChIKey is CBFKAYNDBVJIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40ClN7O/c1-7-31(5)12-13-32(8-2)11-9-10-19-15-33(24-21(19)23(26)29-25(27)30-24)16-20-18(4)22(34-6)17(3)14-28-20/h14,19H,7-13,15-16H2,1-6H3,(H2,27,29,30).

What are the key properties of N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine?

N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 490.10 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]-N,N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 89359975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).