tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate

C21H24N4O3 — CID 20768855

IUPACtert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
SMILESCc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)nc(CN)n1
InChIInChI=1S/C21H24N4O3/c1-13-11-19(25-18(12-22)23-13)27-17-10-9-16(14-7-5-6-8-15(14)17)24-20(26)28-21(2,3)4/h5-11H,12,22H2,1-4H3,(H,24,26)
InChIKeyTXAAFZGKYPUNCK-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.54
Rot. Bonds4

About tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate

tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate (PubChem CID 20768855) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
PubChem CID20768855
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Nametert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
SMILESCc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)nc(CN)n1
InChIInChI=1S/C21H24N4O3/c1-13-11-19(25-18(12-22)23-13)27-17-10-9-16(14-7-5-6-8-15(14)17)24-20(26)28-21(2,3)4/h5-11H,12,22H2,1-4H3,(H,24,26)
InChIKeyTXAAFZGKYPUNCK-UHFFFAOYSA-N
XLogP4.54
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 144573046
tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 86711521
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
CID 59553417
tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
CID 140610210
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
CID 162509514
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
CID 46900747
tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
CID 133063547
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10166597
1-[4-(2-methoxy-6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 10391196
tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
CID 157060860
1-[4-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]-3-propan-2-ylurea
CID 148632224

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate (CID 20768855) is tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate is Cc1cc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)nc(CN)n1.
What is the InChIKey of tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate?
The InChIKey is TXAAFZGKYPUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-11-19(25-18(12-22)23-13)27-17-10-9-16(14-7-5-6-8-15(14)17)24-20(26)28-21(2,3)4/h5-11H,12,22H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate?
tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate has a molecular weight of 380.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate is sourced from PubChem (CID 20768855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).