2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one

C22H26N6O2 — CID 58448898

IUPAC2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCCC/C=C/c1cnc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C22H26N6O2/c1-4-5-6-7-16-13-26-17(14-25-16)18(29)10-15-8-9-24-19(11-15)22(2)12-20(30)28(3)21(23)27-22/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H2,23,27)/b7-6+
InChIKeyCWLWFSIXCKNWNH-VOTSOKGWSA-N
MW406.49 g/mol
LogP2.50
Rot. Bonds7

About 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one (PubChem CID 58448898) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
PubChem CID58448898
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCCC/C=C/c1cnc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1
InChIInChI=1S/C22H26N6O2/c1-4-5-6-7-16-13-26-17(14-25-16)18(29)10-15-8-9-24-19(11-15)22(2)12-20(30)28(3)21(23)27-22/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H2,23,27)/b7-6+
InChIKeyCWLWFSIXCKNWNH-VOTSOKGWSA-N
XLogP2.50
TPSA114.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one with MolForge

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Related Compounds

2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58449273
2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448772
2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448983
2-amino-6-[4-(2-imidazo[2,1-b][1,3]thiazol-6-yl-2-oxoethyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449101
2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448991
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565
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
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449195
2-amino-6-[2-fluoro-5-[2-[5-(2-methoxyethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449345
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
2-amino-6-[2-fluoro-5-[2-[5-(2-methylsulfanylethoxy)pyrazin-2-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449034
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(1,2,4-triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one (CID 58448898) is 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one is CCC/C=C/c1cnc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The InChIKey is CWLWFSIXCKNWNH-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-4-5-6-7-16-13-26-17(14-25-16)18(29)10-15-8-9-24-19(11-15)22(2)12-20(30)28(3)21(23)27-22/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H2,23,27)/b7-6+.
What are the key properties of 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58448898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).