N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid

C14H15N3O5 — CID 23724171

IUPACN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid
SMILESCOc1ccccc1CNc1ncccn1.O=C(O)C(=O)O
InChIInChI=1S/C12H13N3O.C2H2O4/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12;3-1(4)2(5)6/h2-8H,9H2,1H3,(H,13,14,15);(H,3,4)(H,5,6)
InChIKeyGLZOCAAGFJSMHM-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.25
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid

N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid (PubChem CID 23724171) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid
PubChem CID23724171
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid
SMILESCOc1ccccc1CNc1ncccn1.O=C(O)C(=O)O
InChIInChI=1S/C12H13N3O.C2H2O4/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12;3-1(4)2(5)6/h2-8H,9H2,1H3,(H,13,14,15);(H,3,4)(H,5,6)
InChIKeyGLZOCAAGFJSMHM-UHFFFAOYSA-N
XLogP1.25
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid (CID 23724171) is N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid is COc1ccccc1CNc1ncccn1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid?
The InChIKey is GLZOCAAGFJSMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.C2H2O4/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12;3-1(4)2(5)6/h2-8H,9H2,1H3,(H,13,14,15);(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid?
N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid has a molecular weight of 305.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine;oxalic acid is sourced from PubChem (CID 23724171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).