2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

C18H22N8O2 — CID 153355865

IUPAC2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1noc(C)c1Cn1cc(CNc2nc(C)c3c(n2)N(C)CC(=O)N3)cn1
InChIInChI=1S/C18H22N8O2/c1-10-14(12(3)28-24-10)8-26-7-13(6-20-26)5-19-18-21-11(2)16-17(23-18)25(4)9-15(27)22-16/h6-7H,5,8-9H2,1-4H3,(H,22,27)(H,19,21,23)
InChIKeyHFVPCICMPGTJKF-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.64
Rot. Bonds5

About 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 153355865) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID153355865
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1noc(C)c1Cn1cc(CNc2nc(C)c3c(n2)N(C)CC(=O)N3)cn1
InChIInChI=1S/C18H22N8O2/c1-10-14(12(3)28-24-10)8-26-7-13(6-20-26)5-19-18-21-11(2)16-17(23-18)25(4)9-15(27)22-16/h6-7H,5,8-9H2,1-4H3,(H,22,27)(H,19,21,23)
InChIKeyHFVPCICMPGTJKF-UHFFFAOYSA-N
XLogP1.64
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 153355865) is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is Cc1noc(C)c1Cn1cc(CNc2nc(C)c3c(n2)N(C)CC(=O)N3)cn1.
What is the InChIKey of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is HFVPCICMPGTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-10-14(12(3)28-24-10)8-26-7-13(6-20-26)5-19-18-21-11(2)16-17(23-18)25(4)9-15(27)22-16/h6-7H,5,8-9H2,1-4H3,(H,22,27)(H,19,21,23).
What are the key properties of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 382.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 153355865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).