N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine

C15H22N4O — CID 133461543

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(C(C)(C)C)o2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-6-11-7-13(19-10(2)18-11)16-9-14-17-8-12(20-14)15(3,4)5/h7-8H,6,9H2,1-5H3,(H,16,18,19)
InChIKeyPDQRGZKKUUKNBP-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.25
Rot. Bonds4

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133461543) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133461543
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(C(C)(C)C)o2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-6-11-7-13(19-10(2)18-11)16-9-14-17-8-12(20-14)15(3,4)5/h7-8H,6,9H2,1-5H3,(H,16,18,19)
InChIKeyPDQRGZKKUUKNBP-UHFFFAOYSA-N
XLogP3.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133461543) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCc2ncc(C(C)(C)C)o2)nc(C)n1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is PDQRGZKKUUKNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-11-7-13(19-10(2)18-11)16-9-14-17-8-12(20-14)15(3,4)5/h7-8H,6,9H2,1-5H3,(H,16,18,19).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133461543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).