2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane

C17H23N5O2 — CID 143894168

IUPAC2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
SMILESCC.COc1c(C)cnc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1C
InChIInChI=1S/C15H17N5O2.C2H6/c1-7-5-17-10(8(2)13(7)22-3)4-9-6-18-12-11(9)19-15(16)20-14(12)21;1-2/h5-6,18H,4H2,1-3H3,(H3,16,19,20,21);1-2H3
InChIKeyWWCDXQLUICWFFS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane

2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane (PubChem CID 143894168) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
PubChem CID143894168
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane
SMILESCC.COc1c(C)cnc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1C
InChIInChI=1S/C15H17N5O2.C2H6/c1-7-5-17-10(8(2)13(7)22-3)4-9-6-18-12-11(9)19-15(16)20-14(12)21;1-2/h5-6,18H,4H2,1-3H3,(H3,16,19,20,21);1-2H3
InChIKeyWWCDXQLUICWFFS-UHFFFAOYSA-N
XLogP2.47
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The IUPAC name of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane (CID 143894168) is 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane is CC.COc1c(C)cnc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1C.
What is the InChIKey of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
The InChIKey is WWCDXQLUICWFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.C2H6/c1-7-5-17-10(8(2)13(7)22-3)4-9-6-18-12-11(9)19-15(16)20-14(12)21;1-2/h5-6,18H,4H2,1-3H3,(H3,16,19,20,21);1-2H3.
What are the key properties of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane?
2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane has a molecular weight of 329.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 143894168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).