N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C23H30N4O — CID 70024966

IUPACN-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cc(C)c(-c2noc3c(NC(C)CCCC4CC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C23H30N4O/c1-13-11-14(2)19(15(3)12-13)20-21-22(28-27-20)23(26-17(5)25-21)24-16(4)7-6-8-18-9-10-18/h11-12,16,18H,6-10H2,1-5H3,(H,24,25,26)
InChIKeyDJLOPDRBSAYASF-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.90
Rot. Bonds7

About N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70024966) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID70024966
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cc(C)c(-c2noc3c(NC(C)CCCC4CC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C23H30N4O/c1-13-11-14(2)19(15(3)12-13)20-21-22(28-27-20)23(26-17(5)25-21)24-16(4)7-6-8-18-9-10-18/h11-12,16,18H,6-10H2,1-5H3,(H,24,25,26)
InChIKeyDJLOPDRBSAYASF-UHFFFAOYSA-N
XLogP5.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 70024966) is N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1cc(C)c(-c2noc3c(NC(C)CCCC4CC4)nc(C)nc23)c(C)c1.
What is the InChIKey of N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DJLOPDRBSAYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-13-11-14(2)19(15(3)12-13)20-21-22(28-27-20)23(26-17(5)25-21)24-16(4)7-6-8-18-9-10-18/h11-12,16,18H,6-10H2,1-5H3,(H,24,25,26).
What are the key properties of N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 378.52 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylpentan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70024966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).