N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide

C21H23N7O3 — CID 70233346

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide
SMILESCCC#CCOc1cnc(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C21H23N7O3/c1-4-5-6-9-31-17-13-24-15(12-25-17)19(30)26-14-7-8-23-16(10-14)21(2)11-18(29)28(3)20(22)27-21/h7-8,10,12-13H,4,9,11H2,1-3H3,(H2,22,27)(H,23,26,30)
InChIKeyFSVVMFADOMYBJP-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide (PubChem CID 70233346) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide
PubChem CID70233346
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide
SMILESCCC#CCOc1cnc(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C21H23N7O3/c1-4-5-6-9-31-17-13-24-15(12-25-17)19(30)26-14-7-8-23-16(10-14)21(2)11-18(29)28(3)20(22)27-21/h7-8,10,12-13H,4,9,11H2,1-3H3,(H2,22,27)(H,23,26,30)
InChIKeyFSVVMFADOMYBJP-UHFFFAOYSA-N
XLogP1.31
TPSA135.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 70234907
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
CID 70235107
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 70232328
2-amino-6-[2-fluoro-5-[2-oxo-2-(5-pent-2-ynoxypyrazin-2-yl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448672
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
CID 70232154
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
CID 70234249
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 70234985
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 70234150
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 70235636
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 91116624
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
CID 70233615

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide (CID 70233346) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide is CCC#CCOc1cnc(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide?
The InChIKey is FSVVMFADOMYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-4-5-6-9-31-17-13-24-15(12-25-17)19(30)26-14-7-8-23-16(10-14)21(2)11-18(29)28(3)20(22)27-21/h7-8,10,12-13H,4,9,11H2,1-3H3,(H2,22,27)(H,23,26,30).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-pent-2-ynoxypyrazine-2-carboxamide is sourced from PubChem (CID 70233346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).