N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide

C20H24N6O4 — CID 70234615

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C20H24N6O4/c1-20(10-17(27)26(2)19(21)25-20)13-5-4-6-14(9-13)24-18(28)15-11-23-16(12-22-15)30-8-7-29-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H2,21,25)(H,24,28)
InChIKeyNAJNDLWHMNSIOI-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.15
Rot. Bonds7

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide (PubChem CID 70234615) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
PubChem CID70234615
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C20H24N6O4/c1-20(10-17(27)26(2)19(21)25-20)13-5-4-6-14(9-13)24-18(28)15-11-23-16(12-22-15)30-8-7-29-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H2,21,25)(H,24,28)
InChIKeyNAJNDLWHMNSIOI-UHFFFAOYSA-N
XLogP1.15
TPSA132.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide (CID 70234615) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide is COCCOc1cnc(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The InChIKey is NAJNDLWHMNSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-20(10-17(27)26(2)19(21)25-20)13-5-4-6-14(9-13)24-18(28)15-11-23-16(12-22-15)30-8-7-29-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H2,21,25)(H,24,28).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 70234615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).