5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one

C24H26N8O4 — CID 138671750

IUPAC5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1[nH]c(=O)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c(N[C@@]2(c3ncccn3)CC2OC)c1N
InChIInChI=1S/C24H26N8O4/c1-26-11-14-19(25)20(32-24(10-17(24)36-4)23-27-6-5-7-28-23)18(22(33)31-14)21-29-12-8-15(34-2)16(35-3)9-13(12)30-21/h5-9,11,17H,10,25H2,1-4H3,(H,29,30)(H2,31,32,33)/b26-11+/t17?,24-/m0/s1
InChIKeyCZZYLDLPFSLDLS-JNHYWVOPSA-N
MW490.52 g/mol
LogP2.08
Rot. Bonds8

About 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one

5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 138671750) has the molecular formula C24H26N8O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID138671750
Molecular FormulaC24H26N8O4
Molecular Weight490.52 g/mol
Exact Mass490.21
IUPAC Name5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1[nH]c(=O)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c(N[C@@]2(c3ncccn3)CC2OC)c1N
InChIInChI=1S/C24H26N8O4/c1-26-11-14-19(25)20(32-24(10-17(24)36-4)23-27-6-5-7-28-23)18(22(33)31-14)21-29-12-8-15(34-2)16(35-3)9-13(12)30-21/h5-9,11,17H,10,25H2,1-4H3,(H,29,30)(H2,31,32,33)/b26-11+/t17?,24-/m0/s1
InChIKeyCZZYLDLPFSLDLS-JNHYWVOPSA-N
XLogP2.08
TPSA165.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one (CID 138671750) is 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one is C/N=C/c1[nH]c(=O)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c(N[C@@]2(c3ncccn3)CC2OC)c1N.
What is the InChIKey of 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is CZZYLDLPFSLDLS-JNHYWVOPSA-N. The full InChI is InChI=1S/C24H26N8O4/c1-26-11-14-19(25)20(32-24(10-17(24)36-4)23-27-6-5-7-28-23)18(22(33)31-14)21-29-12-8-15(34-2)16(35-3)9-13(12)30-21/h5-9,11,17H,10,25H2,1-4H3,(H,29,30)(H2,31,32,33)/b26-11+/t17?,24-/m0/s1.
What are the key properties of 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one?
5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 490.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-[[(1R)-2-methoxy-1-pyrimidin-2-ylcyclopropyl]amino]-6-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 138671750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).