N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C18H18N6O — CID 56898839

IUPACN,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)Cc3cc(-c4ccccc4)on3)c12
InChIInChI=1S/C18H18N6O/c1-12-16-17(19-11-20-18(16)24(3)21-12)23(2)10-14-9-15(25-22-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyCMBAMNHHIMFSOI-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.96
Rot. Bonds4

About N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56898839) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56898839
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)Cc3cc(-c4ccccc4)on3)c12
InChIInChI=1S/C18H18N6O/c1-12-16-17(19-11-20-18(16)24(3)21-12)23(2)10-14-9-15(25-22-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyCMBAMNHHIMFSOI-UHFFFAOYSA-N
XLogP2.96
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 56898839) is N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(N(C)Cc3cc(-c4ccccc4)on3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CMBAMNHHIMFSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-16-17(19-11-20-18(16)24(3)21-12)23(2)10-14-9-15(25-22-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3.
What are the key properties of N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56898839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).