4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

C20H24N4O2 — CID 133402394

IUPAC4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCOCc1cc(NCc2cc(=O)[nH]c3ccccc23)nc(C(C)(C)C)n1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)19-22-14(12-26-4)10-17(24-19)21-11-13-9-18(25)23-16-8-6-5-7-15(13)16/h5-10H,11-12H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyLUIAQPZSMJIOFA-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.37
Rot. Bonds5

About 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 133402394) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID133402394
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCOCc1cc(NCc2cc(=O)[nH]c3ccccc23)nc(C(C)(C)C)n1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)19-22-14(12-26-4)10-17(24-19)21-11-13-9-18(25)23-16-8-6-5-7-15(13)16/h5-10H,11-12H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyLUIAQPZSMJIOFA-UHFFFAOYSA-N
XLogP3.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (CID 133402394) is 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is COCc1cc(NCc2cc(=O)[nH]c3ccccc23)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is LUIAQPZSMJIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)19-22-14(12-26-4)10-17(24-19)21-11-13-9-18(25)23-16-8-6-5-7-15(13)16/h5-10H,11-12H2,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 352.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 133402394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).