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

C19H24N8O2 — CID 166645034

IUPAC4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2cnn(Cc3cnc(C(C)C)o3)c2)nc2c1NC(=O)CN2C
InChIInChI=1S/C19H24N8O2/c1-11(2)18-20-7-14(29-18)9-27-8-13(6-22-27)5-21-19-23-12(3)16-17(25-19)26(4)10-15(28)24-16/h6-8,11H,5,9-10H2,1-4H3,(H,24,28)(H,21,23,25)
InChIKeyYPEZZMJEHWWPMG-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.14
Rot. Bonds6

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

4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one (PubChem CID 166645034) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
PubChem CID166645034
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2cnn(Cc3cnc(C(C)C)o3)c2)nc2c1NC(=O)CN2C
InChIInChI=1S/C19H24N8O2/c1-11(2)18-20-7-14(29-18)9-27-8-13(6-22-27)5-21-19-23-12(3)16-17(25-19)26(4)10-15(28)24-16/h6-8,11H,5,9-10H2,1-4H3,(H,24,28)(H,21,23,25)
InChIKeyYPEZZMJEHWWPMG-UHFFFAOYSA-N
XLogP2.14
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one?
The IUPAC name of 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one (CID 166645034) is 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one is Cc1nc(NCc2cnn(Cc3cnc(C(C)C)o3)c2)nc2c1NC(=O)CN2C.
What is the InChIKey of 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one?
The InChIKey is YPEZZMJEHWWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-11(2)18-20-7-14(29-18)9-27-8-13(6-22-27)5-21-19-23-12(3)16-17(25-19)26(4)10-15(28)24-16/h6-8,11H,5,9-10H2,1-4H3,(H,24,28)(H,21,23,25).
What are the key properties of 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one?
4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one has a molecular weight of 396.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[[1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 166645034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).