N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine

C18H23N5O — CID 46359431

IUPACN',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2onc(-c3ccccc3C)c12
InChIInChI=1S/C18H23N5O/c1-4-23(5-2)11-10-19-17-15-16(14-9-7-6-8-13(14)3)22-24-18(15)21-12-20-17/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyPITLHFNLVJHURK-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.35
Rot. Bonds7

About N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine

N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 46359431) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID46359431
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2onc(-c3ccccc3C)c12
InChIInChI=1S/C18H23N5O/c1-4-23(5-2)11-10-19-17-15-16(14-9-7-6-8-13(14)3)22-24-18(15)21-12-20-17/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyPITLHFNLVJHURK-UHFFFAOYSA-N
XLogP3.35
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 46359431) is N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine is CCN(CC)CCNc1ncnc2onc(-c3ccccc3C)c12.
What is the InChIKey of N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is PITLHFNLVJHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-23(5-2)11-10-19-17-15-16(14-9-7-6-8-13(14)3)22-24-18(15)21-12-20-17/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 325.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 46359431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).